SCHEMBL347829

SCHEMBL347829

COC(=O)c1ccc2c(Br)nn(C(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
APOBEC3A P31941 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NOTUM Q6P988 1/20 0.40
LCK P06239 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KIF11 P52732 1/20 0.39
MEN1 O00255 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
SCHEMBL31632866 0.88 NOTUM (0.42) KDM4EHSD17B10POLBALDH1A1HPGD
SCHEMBL15687424 0.85 KDM4E (0.44) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL24812982 0.84 KDM4E (0.42) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL25139940 0.84 KDM4E (0.45) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL15687748 0.83 KDM4E (0.43) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL29950049 0.82 ALDH1A1 (0.43) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL7426182 0.82 ALDH1A1 (0.43) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL7981706 0.82 KDM4E (0.44) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL28018803 0.81 KDM4E (0.41) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL31522420 0.80 CMKLR1 (0.52) KDM4EHSD17B10POLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053379-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING PSORIASIS 광주과학기술원 2025-03-13 WO disclosed
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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 (1 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KDM4E 4010/4885HSD17B10 4501/4885POLB 4302/4885

“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.