SCHEMBL3035852

SCHEMBL3035852

c1ccc(COCn2cncn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2917482 0.76 CYP19A1 (1.00) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6003706 0.75 ALDH1A1 (0.57) CYP19A1SMN1; SMN2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL9382670 0.74 CYP19A1 (0.96) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1563130 0.74 TSHR (0.48) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3235402 0.73 NPC1 (0.72) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL7138301 0.73 CYP19A1 (0.67) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3484265 0.72 HMOX1 (0.48) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL10701931 0.71 CYP19A1 (0.50) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6648239 0.70 CYP19A1 (0.62) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9023539 0.70 CYP19A1 (0.86) CYP19A1SMN1; SMN2NPC1RAB9ATP53

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
CN-1035357-C Pharmaceutical preparations MACK CHEM PHARM (DE) 1997-07-09 CN claimed
CN-1052046-A pharmaceutical preparation MACK CHEM PHARM (DE) 1991-06-12 CN claimed
CN-110603032-A Strippable nail paint 牡蛎壳公司 2019-12-20 CN disclosed
CN-110582261-A Colored cuticle separating nail lacquer 牡蛎壳公司 2019-12-17 CN disclosed
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20100210636-A1 BENZOXAZINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2010-08-19 US disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 EP disclosed
EP-1827400-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS Nu-Tein Co., Inc. (US) 2007-09-05 EP disclosed
WO-2006062740-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS NU-TEIN CO., INC. (US) 2006-06-15 WO disclosed
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS NU-TEIN CO., INC. 2006-06-08 US disclosed
CN-1035357-C Pharmaceutical preparations MACK CHEM PHARM (DE) 1997-07-09 CN disclosed
CN-1052046-A pharmaceutical preparation MACK CHEM PHARM (DE) 1991-06-12 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 (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-20100210636-A1 BENZOXAZINONE DERIVATIVE HAX1, CYP4X1, CYP19A1 CYP19A1 3/4885SMN1; SMN2 1730/4885NPC1 2353/4885
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS COL1A1, COL2A1, KRT18 CYP19A1 785/4885SMN1; SMN2 4229/4885NPC1 645/4885

“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.