SCHEMBL6860680

SCHEMBL6860680

O=C(O)CC1CN(C(=O)c2cccnc2)c2cc(NC(=O)CCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 5/20 0.34
LDLR P01130 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ROCK2 O75116 1/20 0.33
CHRNA7 P36544 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6860271 0.98 SMN1; SMN2 (0.35) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6860727 0.96 SMN1; SMN2 (0.36) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6853862 0.93 MAPT (0.36) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6860865 0.91 MAPT (0.35) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6862753 0.89 POLB (0.36) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6854362 0.87 ITGB3 (0.38) RORCLDLRITGB3ITGAVITGA2B
SCHEMBL6860087 0.86 RORC (0.39) SMN1; SMN2NPC1TP53RAB9ARORC
SCHEMBL6862326 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2BROCK2
SCHEMBL6854072 0.83 RORC (0.39) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL6860516 0.83 MAPT (0.37) SMN1; SMN2NPC1ALDH1A1RAB9ARORC

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 SMN1; SMN2 2835/4885NPC1 2263/4885ALDH1A1 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.