SCHEMBL7520996

SCHEMBL7520996

Brc1ccc(C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
NPC1 O15118 1/20 0.61
GAA P10253 1/20 0.61
HTR2A P28223 1/20 0.41
KDM1A O60341 6/20 0.40
RCOR1 Q9UKL0 3/20 0.40
KCNH2 Q12809 2/20 0.40
MAOB P27338 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM1B Q8NB78 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
Benzene SCHEMBL28134446 0.98 MEN1 (0.59) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL18926276 0.94 NPC1 (0.55) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL29116619 0.88 HTR2A (0.50) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL21174548 0.82 MEN1 (0.43) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL20869346 0.82 MEN1 (0.43) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL30441109 0.82 MEN1 (0.43) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL10042990 0.82 CYP1A2 (0.50) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL14804285 0.82 MEN1 (0.50) KMT2AMEN1NPC1GAAHTR2A
SCHEMBL13805589 0.80 MAPK1 (0.44) KMT2AMEN1NPC1GAACYP1A2
SCHEMBL27880163 0.80 KMT2A (0.46) KMT2AMEN1NPC1GAAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
EP-4140988-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2023-03-01 EP claimed
EP-3400217-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2018-11-14 EP claimed
US-9834528-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof MERCK SERONO S.A. (CH) 2017-12-05 US claimed
WO-2017118641-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF MERCK SERONO S.A. (CH) 2017-07-13 WO claimed
US-20170190677-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF MERCK SERONO S.A. (CH) 2017-07-06 US claimed
WO-2016207626-A1 FLUOROGENIC COMPOUNDS, PROCESS OF PREPARATION THEREOF AND METHODS OF USE THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-12-29 WO claimed
EP-2914256-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF Aileron Therapeutics, Inc. (US) 2015-09-09 EP claimed
CN-104812384-A Disubstituted amino acids and methods of preparation and use thereof AILERON THERAPEUTICS INC 2015-07-29 CN claimed
US-20140128581-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS, INC. (US) 2014-05-08 US claimed
WO-2014071241-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS, INC. (US) 2014-05-08 WO claimed
US-20240240114-A1 Improved Combination of Protease and Protease Inhibitor with Secondary Enzyme BASF SE (DE) 2024-07-18 US disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO disclosed
US-20240132808-A1 Storage-Stable Hydrolase Containing Liquids BASF SE (DE) 2024-04-25 US disclosed
US-20130165539-A1 ALKALINE-STABLE CHROMATOGRAPHIC RESINS NORTH CAROLINA STATE UNIVERSITY (US) 2013-06-27 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
WO-2002004543-A1 COPOLYMER SEMI-CONDUCTOR MATERIALS MADE OF OLIGO-PHENYLENE UNITS AND AT LEAST ONE FLUORENE UNIT SIEMENS AKTIENGESELLSCHAFT (DE) 2002-01-17 WO disclosed
WO-2001056091-A2 CHARGE TRANSPORT MATERIAL HAVING AN INCREASED GLASS TRANSITION TEMPERATURE AND THE USE OF SAID MATERIAL SIEMENS AKTIENGESELLSCHAFT (DE) 2001-08-02 WO 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 (3 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS KMT2A 4534/4885MEN1 361/4885NPC1 4023/4885
US-20170190677-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGFR KMT2A 2719/4885MEN1 4686/4885NPC1 4121/4885
US-20140128581-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF ASNS, BCAT1, BCAT2 KMT2A 2304/4885MEN1 1070/4885NPC1 2881/4885

“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.