SCHEMBL5355437

SCHEMBL5355437

N[C@@H](COc1cc(OCc2ccccc2)ccc1Br)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.48
MAOB P27338 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43
LCK P06239 1/20 0.43
LTA4H P09960 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL20439319 1.00 SCN4A (0.48) SCN4AMAOBSMN1; SMN2KMT2AGAA
SCHEMBL20439314 0.94 SCN4A (0.43) SCN4AMAOBSMN1; SMN2KMT2AGAA
SCHEMBL20439307 0.93 MAOB (0.44) SCN4AMAOBSMN1; SMN2KMT2AMAOA
SCHEMBL20439308 0.93 MAOB (0.44) SCN4AMAOBSMN1; SMN2KMT2AMAOA
SCHEMBL20439378 0.85 KMT2A (0.40) MAOBSMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL20439375 0.82 DHFR (0.37) MAOBSMN1; SMN2KMT2AMAOARAB9A
SCHEMBL20439360 0.82 DHFR (0.37) MAOBSMN1; SMN2KMT2AMAOARAB9A
SCHEMBL615020 0.82 MAOB (0.59) MAOBSMN1; SMN2GAAMAPTMAOA
SCHEMBL30628889 0.82 MAOB (0.59) MAOBSMN1; SMN2GAAMAPTMAOA
SCHEMBL14569807 0.79 SLC2A1 (0.51) SCN4ASMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP 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 (3 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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG SCN4A 2188/4885MAOB 3226/4885SMN1; SMN2 4603/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG SCN4A 1972/4885MAOB 3704/4885SMN1; SMN2 4678/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG SCN4A 2016/4885MAOB 3740/4885SMN1; SMN2 4666/4885

“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.