SCHEMBL6860247

SCHEMBL6860247

O=C(O)CC1CN(c2ccccc2)c2cc(NC(=O)CCCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALOX15 P16050 2/20 0.36
RORC P51449 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
ITGAV P06756 4/20 0.35
HSD17B10 Q99714 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 0.98 MAPT (0.37) MAPTALOX15RORCALDH1A1LMNA
SCHEMBL6853671 0.94 RORC (0.36) MAPTALOX15RORCALDH1A1LMNA
SCHEMBL6854072 0.90 RORC (0.39) MAPTALOX15RORCALDH1A1NPC1
SCHEMBL6860087 0.88 RORC (0.39) MAPTALOX15RORCNPC1NFKB1
SCHEMBL6860175 0.88 SMN1; SMN2 (0.38) MAPTALOX15RORCALDH1A1LMNA
SCHEMBL6860865 0.88 MAPT (0.35) MAPTALOX15RORCALDH1A1NPC1
SCHEMBL7708659 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVHTR1A
SCHEMBL6860274 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVHTR1A
SCHEMBL6860149 0.86 RORC (0.35) MAPTALOX15RORCALDH1A1NPC1
SCHEMBL6859265 0.86 ITGB3 (0.46) ITGB3ITGA2BITGAVHTR1A

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 MAPT 4808/4885ALOX15 1005/4885RORC 1719/4885

“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.