SCHEMBL305841

SCHEMBL305841

CCN([C]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ESR1 P03372 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NR3C2 P08235 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL709443 0.83 TP53 (0.43) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL9622093 0.81 ALDH1A1 (0.37) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL2807180 0.80 TSHR (0.41) TSHRALDH1A1HTTMAPK1MAPT
SCHEMBL489807 0.79 TDP1 (0.44) KMT2AMEN1TP53NPSR1ESR1
SCHEMBL6696457 0.78 CHRM5 (0.43) MAPTSLC6A2SMN1; SMN2
SCHEMBL4480480 0.78 ESR1 (0.46) TSHRALDH1A1KMT2AMEN1TP53
SCHEMBL14121955 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL704306 0.78 NPC1 (0.47) KMT2AMEN1TP53NPSR1ESR1
SCHEMBL7668425 0.77 NPSR1 (0.39) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL27458991 0.77 ALDH1A1 (0.34) TSHRALDH1A1GLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP claimed
US-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX UBE INDUSTRIES, LTD. (JP) 2010-09-23 US claimed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US claimed
EP-2088151-A1 GOLD COMPLEX, METHOD FOR PRODUCTION OF THE GOLD COMPLEX, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT ELEMENT USING THE GOLD COMPLEX Ube Industries, Ltd. (JP) 2009-08-12 EP claimed
CN-101243079-A Tricyclic opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN claimed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0019369-B1 ISOTHIOUREIDO ISOINDOLEDIONES, PROCESS FOR THEIR PREPARATION AND USE AS PLANT REGULATORS Gulf Oil Corporation (US) 1984-03-07 EP claimed
US-3980430-A CATIONIC DYE, HALOGENATED HYDROCARBON BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US claimed

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-20100237770-A1 GOLD COMPLEX AND PROCESS FOR PREPARING THE SAME, AND ORGANIC ULTRAVIOLET ELECTROLUMINESCENT DEVICE USING SAID GOLD COMPLEX APOL1, UFL1, ACSL3 TSHR 2791/4885ALDH1A1 435/4885GLA 2095/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 TSHR 1748/4885ALDH1A1 1995/4885GLA 4671/4885

“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.