SCHEMBL1006385

SCHEMBL1006385

COc1cc(OC)nc(NN)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 5/20 0.40
AGTR1 P30556 2/20 0.40
HTT P42858 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL9847096 0.87 HTT (0.54) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL31453606 0.81 L3MBTL1 (0.49) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL31484147 0.81 MAPT (0.64) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL25036286 0.80 NOS3 (0.39) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL1576738 0.78 CYP1A2 (0.55) CYP1A2L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL10394977 0.74 CYP1A2 (0.52) CYP1A2L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL30397292 0.74 KDM4E (0.46) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL25205112 0.74 KDM4E (0.46) CYP1A2L3MBTL1GAAKMT2AMEN1
SCHEMBL12411173 0.73 CYP1A2 (0.50) CYP1A2GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8347801 0.73 CYP1A2 (0.50) CYP1A2L3MBTL1GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 EP disclosed
CN-1114603-C Hydrazono-1,3-dithiocyclopentane derivative and synthesizing method UNIV SICHUAN (CN) 2003-07-16 CN disclosed
CN-1217331-A Hydrazono-1,3-dithiocyclopentane derivative and synthesizing method HUAXI MEDICAL UNIV (CN) 1999-05-26 CN disclosed
WO-1994022853-A1 HERBICIDAL 1-HETEROARYL PYRAZOLIDIN-3,5-DIONES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-10-13 WO disclosed
US-5091529-A HERBICIDAL SUBSTITUTED SULPHONYLAMINOAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0457140-A2 Phenoxyphenyl sulfonyl compounds BAYER AG (DE) 1991-11-21 EP disclosed
US-5021082-A Pre=and postemergent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0419831-A2 Substituted sulfonylaminoazoles BAYER AG (DE) 1991-04-03 EP disclosed
US-4941912-A Herbicidal substituted sulphonylaminoazoles BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0330959-A2 Substituted sulphonyl amino azoles BAYER AG (DE) 1989-09-06 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 (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-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 CYP1A2 420/4885L3MBTL1 4788/4885GAA 2807/4885

“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.