SCHEMBL3398995

SCHEMBL3398995

NC(=O)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ICMT O60725 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41

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
SCHEMBL29718832 1.00 SIRT1 (0.47) SIRT1ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5398548 0.98 SIRT1 (0.46) SIRT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29718886 0.84 L3MBTL1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL260323 0.84 L3MBTL1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL3876954 0.82 HIF1A (0.59) SIRT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2578143 0.82 CXCL8 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL29497752 0.82 CXCL8 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL17330382 0.81 SIRT1 (0.49) SIRT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29902905 0.81 SIRT1 (0.51) SIRT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29852214 0.81 ICMT (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
US-20070135414-A1 Tachykinin Antagonists ALVARO GUISEPPE 2007-06-14 US claimed
EP-1377560-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-09-21 EP claimed
EP-1377558-B1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-08-17 EP claimed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US claimed
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-07-01 US claimed
EP-1377560-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
WO-2023107481-A1 AMIDE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
WO-2003015784-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-02-27 WO disclosed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP 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 (5 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SIRT1 1985/4885ALDH1A1 452/4885MEN1 3509/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 SIRT1 2382/4885ALDH1A1 2184/4885MEN1 958/4885
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 SIRT1 2462/4885ALDH1A1 2441/4885MEN1 1148/4885
US-20070135414-A1 Tachykinin Antagonists NPSR1, TACR2, NPY4R SIRT1 2905/4885ALDH1A1 4487/4885MEN1 964/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 SIRT1 647/4885ALDH1A1 370/4885MEN1 4823/4885

“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.