SCHEMBL1995968

SCHEMBL1995968

Fc1ccc(-c2ccc(Br)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.52
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
MAPK13 O15264 1/20 0.48
GCGR P47871 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL1990322 0.98 SNCA (0.50) SNCAHSD17B1HSD17B2MAPK13GCGR
SCHEMBL2778388 0.88 SNCA (0.61) SNCAKDM4ENPC1RAB9AALDH1A1
SCHEMBL12581415 0.83 HSD17B1 (0.63) SNCAHSD17B1HSD17B2KDM4ENPC1
SCHEMBL12562851 0.80 HSD17B1 (0.61) HSD17B1HSD17B2KDM4ENPC1RAB9A
SCHEMBL12562796 0.80 HSD17B1 (0.61) HSD17B1HSD17B2KDM4ENPC1RAB9A
SCHEMBL1987764 0.80 SNCA (0.50) SNCAHSD17B1HSD17B2MAPK13GCGR
SCHEMBL12562798 0.78 HSD17B1 (0.59) HSD17B1HSD17B2KDM4ENPC1RAB9A
SCHEMBL12562792 0.78 HSD17B1 (0.59) HSD17B1HSD17B2KDM4ENPC1RAB9A
SCHEMBL12562788 0.78 HSD17B1 (0.59) HSD17B1HSD17B2KDM4ENPC1RAB9A
SCHEMBL9933404 0.78 HSD17B1 (0.59) HSD17B1HSD17B2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 CN disclosed
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE SHANGHAI CASAIL DISPLAY TECHNOLOGY LTD. (CN) 2011-06-23 US disclosed
CN-101955491-A Induced layer material for weak epitaxial growth thin film of non-planar metal phthalocyanin SHANGHAI ZHONGKE LIANHE DISPLAY TECHNOLOGY CO LTD 2011-01-26 CN disclosed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO disclosed
EP-1909775-A2 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES Onconova Therapeutics, Inc. (US) 2008-04-16 EP disclosed
WO-2007016201-A2 FORMULATION OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC. (US) 2007-02-08 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 (2 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 SNCA 3311/4885HSD17B1 480/4885HSD17B2 607/4885
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE CDYL, PAX3, PAXBP1 SNCA 3557/4885HSD17B1 2793/4885HSD17B2 2870/4885

“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.