SCHEMBL6860138

SCHEMBL6860138

O=C(O)CC1CN(Cc2ccccc2)c2cc(NC(=O)CCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.37
RORC P51449 5/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.35
HTR1A P08908 2/20 0.35
GAA P10253 1/20 0.35
SIRT1 Q96EB6 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
SCHEMBL6860800 0.95 NPC1 (0.39) TP53LMNATHRBRORCRAB9A
SCHEMBL6860175 0.95 SMN1; SMN2 (0.38) TP53LMNATHRBRORCRAB9A
SCHEMBL6860075 0.89 RORC (0.36) RORCITGB3ITGAV
SCHEMBL6860571 0.88 RORC (0.40) RORCITGB3ITGAV
SCHEMBL6853671 0.87 RORC (0.36) LMNARORCRAB9ANPC1SMN1; SMN2
SCHEMBL6860658 0.87 RORC (0.34) RORCITGB3ITGAVALDH1A1
SCHEMBL7711485 0.86 GAA (0.40) TP53LMNATHRBRORCRAB9A
SCHEMBL6862581 0.86 GAA (0.40) TP53LMNATHRBRORCRAB9A
SCHEMBL6862753 0.86 POLB (0.36) TP53RORCRAB9ANPC1SMN1; SMN2
SCHEMBL6853816 0.84 RORC (0.35) RORCRAB9ANPC1SMN1; SMN2ITGB3

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 TP53 4359/4885LMNA 1567/4885THRB 909/4885

“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.