SCHEMBL6860119

SCHEMBL6860119

O=C(O)CC1CN(CC2CCCCC2)c2cc(NC(=O)CCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.34
JAK2 O60674 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LDLR P01130 4/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL6854297 0.98 JAK2 (0.34) RORCJAK2HDAC1HDAC6LDLR
SCHEMBL6853816 0.96 RORC (0.35) RORCMAPTALOX15ALDH1A1ITGB3
SCHEMBL6860658 0.95 RORC (0.34) RORCLDLRALDH1A1KDM4EITGB3
SCHEMBL6860149 0.94 RORC (0.35) RORCMAPTALOX15ALDH1A1ITGB3
SCHEMBL6860075 0.92 RORC (0.36) RORCITGB3ITGAVITGA2BKMT2A
SCHEMBL6860800 0.87 NPC1 (0.39) RORCMAPTALOX15ALDH1A1ITGB3
SCHEMBL6860087 0.87 RORC (0.39) RORCMAPTALOX15ITGB3ITGAV
SCHEMBL6860307 0.87 ITGB3 (0.40) HDAC1HDAC6LDLRALDH1A1ITGB3
SCHEMBL6860175 0.85 SMN1; SMN2 (0.38) RORCMAPTALOX15ALDH1A1ITGB3
SCHEMBL6854072 0.84 RORC (0.39) RORCMAPTALOX15ALDH1A1ITGB3

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 RORC 1719/4885JAK2 764/4885HDAC1 98/4885

“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.