SCHEMBL587762

SCHEMBL587762

Clc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
FFAR1 O14842 2/20 0.59
NPSR1 Q6W5P4 1/20 0.56
CNR2 P34972 1/20 0.56
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.55
CA12 O43570 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL588222 0.91 MEN1 (0.59) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL10945837 0.89 MEN1 (0.71) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL11512612 0.89 MEN1 (0.71) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL1924100 0.89 HTT (0.78) HTTMEN1KMT2AMAPTCYP1A2
SCHEMBL11509661 0.88 FFAR1 (0.63) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL22628164 0.84 HTT (0.71) HTTMEN1KMT2AL3MBTL1CYP1A2
N-Benzylaniline SCHEMBL7840 0.84 HTT (0.71) HTTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10756655 0.82 HTT (0.69) HTTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL11510712 0.82 HDAC4 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
N-Benzylaniline SCHEMBL357137 0.81 HTT (0.68) HTTMEN1KMT2AL3MBTL1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110963927-A Allylation method of N-benzyl aniline compound 重庆大学 2020-04-07 CN claimed
CN-107129442-A A kind of α Process for the cyanation of monoalkyl substituted aniline 重庆大学 2017-09-05 CN claimed
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP claimed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US claimed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 US claimed
US-7851627-B2 Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-12-14 US claimed
EP-2167479-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2010-03-31 EP claimed
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2009-11-12 US claimed
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-03 US claimed
WO-2008152650-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2008-12-18 WO claimed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP claimed
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO claimed
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-10-30 US claimed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 EP claimed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP claimed
CN-119684135-A Method for synthesizing beta-amino alcohol compound by photocatalysis 国电投核素同创(重庆)科技有限公司 2025-03-25 CN disclosed
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CYP3A5, CYP4A11, IL5 HTT 3699/4885MEN1 2753/4885KMT2A 1193/4885
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 HTT 828/4885MEN1 2851/4885KMT2A 2609/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTT 886/4885MEN1 2975/4885KMT2A 2546/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTT 886/4885MEN1 2975/4885KMT2A 2546/4885
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES CYP3A5, TPH1, CYP51A1 HTT 1226/4885MEN1 3457/4885KMT2A 1454/4885
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES HRH4, HRH1, HRH2 HTT 1149/4885MEN1 4160/4885KMT2A 287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.