SCHEMBL1110129

SCHEMBL1110129

c1ccc(Cc2ncon2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
CES1 P23141 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
AOC3 Q16853 1/20 0.35
HPGD P15428 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL11898758 0.80 MAPK1 (0.41) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL11899073 0.78 HTR2C (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL31288016 0.78 PNMT (0.43) TAAR1LMNACYP3A4
SCHEMBL15014020 0.78 PNMT (0.43) TAAR1LMNACYP3A4
SCHEMBL12419318 0.76
SCHEMBL4498695 0.75 GRIN1 (0.47) HTTALDH1A1TAAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8822198 0.73 HIF1A (0.39) CES1L3MBTL1ALDH1A1TSHRCYP1A2
SCHEMBL460058 0.70 CALM1 (0.55) CALM1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15323022 0.69 CALM1 (0.61) CALM1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2614741 0.69 CALM1 (0.61) CALM1RAB9ANPC1SMN1; SMN2TDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP claimed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO claimed
US-20250136559-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2025-05-01 US disclosed
US-20230405080-A1 METHODS AND COMPOSITIONS FOR TREATING, PREVENTING, INHIBITING, AMELIORATING OR DELAYING THE ONSET OF OPHTHALMIC CONDITIONS STEALTH BIOTHERAPEUTICS INC. (US) 2023-12-21 US disclosed
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 US disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-9422321-B2 Pyrimidine nucleoside derivatives, synthesis methods and uses thereof for preparing anti-tumor and anti-virus medicaments HIGH & NEW TECHNOLOGY RESEARCH CENTER, HENAN ACADEMY OF SCIENCES (CN) 2016-08-23 US disclosed
US-20130303747-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS HIGH & NEW TECHNOLOGY RESEARCH CENTER, HENAN ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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 (7 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-20130303747-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS TYMP, DUT, NUDT1 CALM1 3434/4885CES1 1427/4885RAB9A 3120/4885
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 CALM1 3054/4885CES1 511/4885RAB9A 3998/4885
US-20230405080-A1 METHODS AND COMPOSITIONS FOR TREATING, PREVENTING, INHIBITING, AMELIORATING OR DELAYING THE ONSET OF OPHTHALMIC CONDITIONS UACA, EYA3, ALDH1A2 CALM1 1519/4885CES1 1338/4885RAB9A 2316/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 CALM1 4090/4885CES1 119/4885RAB9A 3123/4885
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists LPAR3, LPAR1, LPAR2 CALM1 1300/4885CES1 276/4885RAB9A 2950/4885
US-20250136559-A1 SMO MODULATOR COMPOUNDS SMO, SHH, GLI1 CALM1 774/4885CES1 2486/4885RAB9A 863/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CALM1 3031/4885CES1 100/4885RAB9A 2091/4885

“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.