SCHEMBL965113

SCHEMBL965113

CCc1cnc(-n2nc(C)cc2C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALOX15 P16050 7/20 0.49
NPSR1 Q6W5P4 7/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 4/20 0.44

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
SCHEMBL22560253 0.81 MAPT (0.53) TSHRALOX15NPSR1MAPTALDH1A1
SCHEMBL23222239 0.78 UBE2T (0.55) TSHRMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2899562 0.78 KDM4E (0.50) TSHRALOX15NPSR1MAPTALDH1A1
SCHEMBL19105558 0.75 LMNA (0.50) TSHRALOX15NPSR1MAPTALDH1A1
SCHEMBL960876 0.75 HTT (0.52) TSHRALOX15NPSR1MAPTHSD17B10
SCHEMBL4762874 0.73 HTT (0.50) TSHRALOX15NPSR1MAPTHSD17B10
SCHEMBL10140275 0.73 POLB (0.56) NPSR1MAPTALDH1A1KDM4ETP53
SCHEMBL24282131 0.72 MAPT (0.68) TSHRALOX15NPSR1MAPTALDH1A1
SCHEMBL3712068 0.72 RAB9A (0.67) TSHRALOX15NPSR1MAPTALDH1A1
SCHEMBL4138642 0.72 HTT (0.68) TSHRALOX15NPSR1MAPTALDH1A1

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 5 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
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 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 TSHR 660/4885ALOX15 510/4885NPSR1 170/4885

“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.