SCHEMBL5566239

SCHEMBL5566239

O=C(C=Cc1ccccc1)Nc1ccc(C(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.58
CYP26A1 O43174 2/20 0.57
CYP19A1 P11511 2/20 0.56
MMP1 P03956 7/20 0.55
MMP2 P08253 7/20 0.55
MMP9 P14780 7/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 1/20 0.55
CYP17A1 P05093 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PLA2G1B P04054 1/20 0.53
TP53 P04637 1/20 0.53
PGR P06401 1/20 0.53
HSP90AA1 P07900 1/20 0.53

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
SCHEMBL8917719 1.00 EGFR (0.58) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL6866861 1.00 EGFR (0.58) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL8917859 0.93 MMP1 (0.64) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL6862715 0.93 MMP1 (0.64) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL8917860 0.93 MMP1 (0.64) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL6862717 0.93 MMP1 (0.64) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL5565532 0.91 MMP1 (0.55) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL5565528 0.91 MMP1 (0.55) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL5565423 0.91 EGFR (0.55) EGFRCYP26A1CYP19A1MMP1MMP2
SCHEMBL5565426 0.91 EGFR (0.55) EGFRCYP26A1CYP19A1MMP1MMP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 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-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG EGFR 1195/4885CYP26A1 27/4885CYP19A1 274/4885

“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.