SCHEMBL836969

SCHEMBL836969

N=C(Cc1cccc(Cl)c1)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR3A P46098 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
IDO1 P14902 3/20 0.49
CTBP2 P56545 1/20 0.47
PNMT P11086 1/20 0.47
HDAC1 Q13547 3/20 0.45
EPHX2 P34913 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
PIK3CA P42336 1/20 0.44
CHRM2 P08172 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
AGXT P21549 1/20 0.43

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
SCHEMBL836714 0.80 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1067715 0.79 CYP3A4 (0.48) ALDH1A1KMT2ACTBP2TAAR1CHRM2
SCHEMBL21156700 0.78 MEN1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL481228 0.78 CYP1A2 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1580473 0.78 TAAR1 (0.49) ALDH1A1IDO1CTBP2TAAR1HDAC6
SCHEMBL838275 0.78 TAAR1 (0.44) MEN1KMT2AIDO1HDAC1TAAR1
SCHEMBL1622220 0.77 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10558869 0.77 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL641405 0.76 IDO1 (0.44) MEN1ALDH1A1KMT2AIDO1CTBP2
SCHEMBL434982 0.76 HDAC8 (0.56) MEN1ALDH1A1KMT2AIDO1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. 2024-12-26 US disclosed
EP-4419508-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 Carmot Therapeutics, Inc. (US) 2024-08-28 EP disclosed
CN-118302414-A Oxazole, oxadiazole and indole derivatives useful for inhibiting USP28 卡莫特医疗有限公司 2024-07-05 CN disclosed
WO-2023069721-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
WO-2023069721-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 US disclosed
EP-2211619-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 WO disclosed
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN 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 (8 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT HTR3E 2479/4885HTR3B 1467/4885HTR3A 1203/4885
US-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 USP28, USP25, USP39 HTR3E 1913/4885HTR3B 2277/4885HTR3A 1048/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTR3E 2633/4885HTR3B 1534/4885HTR3A 1305/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 HTR3E 569/4885HTR3B 162/4885HTR3A 182/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTR3E 2479/4885HTR3B 1467/4885HTR3A 1203/4885
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 HTR3E 288/4885HTR3B 163/4885HTR3A 197/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH HTR3E 401/4885HTR3B 125/4885HTR3A 155/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 HTR3E 745/4885HTR3B 212/4885HTR3A 239/4885

“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.