SCHEMBL6853671

SCHEMBL6853671

O=C(O)CC1CN(c2ccccc2)c2cc(NC(=O)CCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL6860516 0.95 MAPT (0.37) RORCMAPTALDH1A1ALOX15HSD17B10
SCHEMBL6860247 0.94 MAPT (0.36) RORCMAPTALDH1A1ALOX15HSD17B10
SCHEMBL6860571 0.90 RORC (0.40) RORCITGB3ITGAVITGA2B
SCHEMBL6862753 0.87 POLB (0.36) RORCMAPTALDH1A1ALOX15ITGB3
SCHEMBL6860138 0.87 TP53 (0.39) RORCALDH1A1LMNAITGB3ITGAV
SCHEMBL6860649 0.86 GAA (0.41) RORCMAPTITGB3ITGAVITGA2B
SCHEMBL7711239 0.86 GAA (0.41) RORCMAPTITGB3ITGAVITGA2B
SCHEMBL6860075 0.85 RORC (0.36) RORCITGB3ITGAVITGA2B
SCHEMBL6860087 0.85 RORC (0.39) RORCMAPTALOX15ITGB3ITGAV
SCHEMBL6854072 0.84 RORC (0.39) RORCMAPTALDH1A1ALOX15ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 RORC 1719/4885MAPT 4808/4885ALDH1A1 607/4885

“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.