SCHEMBL835360

SCHEMBL835360

C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
KDM4E B2RXH2 6/20 0.48

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
SCHEMBL837428 0.96 MEN1 (0.55) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3121131 0.95 MEN1 (0.54) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL837415 0.92 TSHR (0.49) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19066313 0.87 ALDH1A1 (0.57) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL836795 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL3103672 0.87 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL23255226 0.86 TSHR (0.56) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3185456 0.86 ALDH1A1 (0.43) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL835813 0.84 ALDH1A1 (0.42) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3187590 0.84 TSHR (0.46) TSHRALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
US-10322132-B2 Prevention or treatment of uratic or gouty diseases SHANTON PHARMA CO., LTD (CN) 2019-06-18 US disclosed
EP-3251675-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Co., Ltd. (CN) 2017-12-06 EP disclosed
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Pte. Ltd. (SG) 2017-11-16 US disclosed
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Pte. Ltd. (SG) 2017-11-16 US disclosed
WO-2016119570-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE 上海珊顿医药科技有限公司 2016-08-04 WO disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
EP-1781657-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-09 EP disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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-20070135456-A1 Medicaments with hm74a receptor activity HCAR1, GPR84, HCAR3 TSHR 200/4885ALDH1A1 1397/4885MEN1 1560/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885ALDH1A1 305/4885MEN1 3009/4885
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE NLRP3, REN, SLC5A1 TSHR 3210/4885ALDH1A1 627/4885MEN1 2275/4885
US-10322132-B2 Prevention or treatment of uratic or gouty diseases REN, NLRP3, SLC5A1 TSHR 2830/4885ALDH1A1 657/4885MEN1 2223/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 TSHR 612/4885ALDH1A1 305/4885MEN1 3009/4885

“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.