SCHEMBL836980

SCHEMBL836980

N=C(Cc1ccc(Cl)c(Cl)c1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.47
PIK3CA P42336 1/20 0.42
PNMT P11086 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FDPS P14324 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3777114 0.85 MEN1 (0.41) IDO1KMT2AALOX15SLC6A2SLC6A4
SCHEMBL29844260 0.85 MEN1 (0.41) IDO1KMT2AALOX15SLC6A2SLC6A4
SCHEMBL29844275 0.84 ALDH1A1 (0.39) HDAC8
SCHEMBL25801611 0.84 ALDH1A1 (0.39) HDAC8
SCHEMBL9314295 0.81 TSHR (0.56) IDO1TSHRKMT2ATRPV1
SCHEMBL29844336 0.81 DAO (0.42) IDO1HDAC1HDAC8
SCHEMBL25802978 0.81 DAO (0.42) IDO1HDAC1HDAC8
SCHEMBL29844344 0.80 HSD17B10 (0.48) KMT2A
SCHEMBL25801632 0.80 HSD17B10 (0.48) KMT2A
SCHEMBL641405 0.78 IDO1 (0.44) IDO1KMT2AHDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
CN-102617487-B Multi-substituted pyrimidinones compounds as well as preparation method and application thereof UNIV BEIJING TECHNOLOGY 2014-04-02 CN 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-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

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

For each of this compound's patents that has machine-readable text (4 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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 IDO1 1234/4885PIK3CA 1542/4885PNMT 4478/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 IDO1 1158/4885PIK3CA 4253/4885PNMT 2518/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH IDO1 1063/4885PIK3CA 4190/4885PNMT 2380/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 IDO1 1270/4885PIK3CA 4115/4885PNMT 2738/4885

“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.