SCHEMBL961121

SCHEMBL961121

Cc1cc(C)nc(-n2cccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 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
SCHEMBL9522293 0.84 MEN1 (0.49) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL28870957 0.82 HTT (0.62) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL9520962 0.81 SMN1; SMN2 (0.42) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL8363953 0.79 ADORA2A (0.44) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL28186628 0.77 ALDH1A1 (0.55) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL6079917 0.76 ADORA2A (0.57) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL2550277 0.76 ADORA2A (0.62) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL21144033 0.75 ADORA2A (0.54) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL3360852 0.72 ADORA2A (0.56) ADORA2AHTTLMNAADORA3ADORA2B
SCHEMBL26098451 0.72 KDM4E (0.41) ADORA2AHTTLMNAADORA3ADORA2B

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
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
CN-101938988-B Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2013-06-19 CN disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
CN-101938988-A Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2011-01-05 CN disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 EP disclosed
CN-1071424-A Pyrazole derivatives and agricultural or horticultural bactericide thereof NIPPON SODA CO (JP) 1993-04-28 CN 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 ADORA2A 647/4885HTT 3402/4885LMNA 679/4885

“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.