SCHEMBL6860800

SCHEMBL6860800

O=C(O)CC1CN(Cc2ccccc2)c2cc(NC(=O)CCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.36
RORC P51449 5/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR1A P08908 2/20 0.36
ROCK2 O75116 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 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
SCHEMBL6860175 0.98 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6860138 0.95 TP53 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6853816 0.89 RORC (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6860087 0.89 RORC (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6860516 0.88 MAPT (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6860119 0.87 RORC (0.34) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6860149 0.87 RORC (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7713874 0.87 ITGB3 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6862362 0.87 ITGB3 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6854072 0.86 RORC (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 NPC1 2263/4885RAB9A 1718/4885SMN1; 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.