SCHEMBL4871374

SCHEMBL4871374

O=C1CCC(c2ccc(F)cc2)c2ccc(F)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
CRBN Q96SW2 12/20 0.44
DDB1 Q16531 11/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL8920289 0.85 CRBN (0.50) KMT2ANPC1CRBNDDB1LMNA
SCHEMBL8402142 0.79 THRB (0.50) CRBNDDB1POLB
SCHEMBL8399014 0.74 DDB1 (0.55) KMT2AMEN1CRBNDDB1
SCHEMBL4863747 0.74 CYP3A4 (0.43) LMNACYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL4871417 0.73 CYP17A1 (0.43) CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL5709369 0.73 CYP3A4 (0.61) CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL3053841 0.72 DDB1 (0.65) NPC1CRBNDDB1
SCHEMBL8404669 0.71 CRBN (0.51) CRBNDDB1LMNAPKM
SCHEMBL8922504 0.71 DDB1 (0.50) NPC1CRBNDDB1
SCHEMBL8920781 0.71 CRBN (0.52) KMT2AMEN1NPC1CRBNDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 KMT2A 2577/4885MEN1 651/4885NPC1 630/4885

“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.