SCHEMBL5654548

SCHEMBL5654548

CON(C)C(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
SMO Q99835 9/20 0.45
MLYCD O95822 1/20 0.42
CYP3A4 P08684 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CES2 O00748 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL22659077 0.88 KMT2A (0.42) KMT2AATMSMOMLYCDCES2
SCHEMBL29406296 0.88 KMT2A (0.42) KMT2AATMSMOMLYCDCES2
SCHEMBL8566804 0.84 KMT2A (0.63) KMT2AATMSMOCYP3A4ESR1
SCHEMBL18530478 0.84 MLYCD (0.41) KMT2AATMMLYCDCES2MEN1
SCHEMBL2504798 0.81 MLYCD (0.40) KMT2AATMMLYCDCYP3A4CES2
SCHEMBL6710893 0.81 CES2 (0.53) KMT2AMLYCDCES2TRPM8
SCHEMBL17100122 0.80 TRPM8 (0.44) KMT2AMLYCDCYP3A4CES2TRPM8
SCHEMBL8575500 0.80 LMNA (0.49) MLYCD
SCHEMBL25343037 0.78 CTSL (0.45) KMT2ACYP3A4TRPM8MEN1CLK1
SCHEMBL954076 0.78 KEAP1 (0.42) KMT2AATMMLYCDCES2TRPM8

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 KMT2A 391/4885ATM 2079/4885SMO 731/4885

“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.