SCHEMBL6862753

SCHEMBL6862753

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RORC P51449 10/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
TP53 P04637 1/20 0.36
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CASR P41180 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6853862 0.95 MAPT (0.36) POLBRORCSMN1; SMN2NPC1RAB9A
SCHEMBL6860865 0.95 MAPT (0.35) POLBRORCSMN1; SMN2NPC1RAB9A
SCHEMBL6860727 0.93 SMN1; SMN2 (0.36) RORCSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL6860680 0.89 SMN1; SMN2 (0.35) RORCSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL6860571 0.88 RORC (0.40) RORCITGB3ITGAVITGA2BKMT2A
SCHEMBL6860271 0.88 SMN1; SMN2 (0.35) RORCSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL6853671 0.87 RORC (0.36) RORCSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7708666 0.86 GAA (0.40) POLBRORCSMN1; SMN2NPC1RAB9A
SCHEMBL6862254 0.86 GAA (0.40) POLBRORCSMN1; SMN2NPC1RAB9A
SCHEMBL6860138 0.86 TP53 (0.39) RORCSMN1; SMN2NPC1RAB9AITGB3

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 POLB 4738/4885RORC 1719/4885SMN1; SMN2 2835/4885

“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.