SCHEMBL6406429

SCHEMBL6406429

O=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RHOA P61586 8/20 0.54
RHOC P08134 7/20 0.54
TACR1 P25103 6/20 0.46
MGLL Q99685 2/20 0.43
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
PRLHR P49683 1/20 0.40

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
SCHEMBL6405395 0.89 CYP3A4 (0.47) RHOARHOCTACR1MGLLUSP2
SCHEMBL6414888 0.76 TACR1 (0.54) TACR1CYP3A4
SCHEMBL5010693 0.75 RHOC (0.61) RHOARHOCMGLL
SCHEMBL6408955 0.73 TACR1 (0.49) TACR1
SCHEMBL1534297 0.73 HIF1A (0.58) RHOARHOCUSP2CYP3A4CYP2C9
SCHEMBL6439965 0.72 RHOA (0.54) RHOARHOCTACR1MGLL
SCHEMBL6440962 0.72 RHOA (0.54) RHOARHOCTACR1MGLL
SCHEMBL6442198 0.72 RHOA (0.55) RHOARHOCMGLLUSP2CYP3A4
SCHEMBL12803227 0.72 RHOC (0.57) RHOARHOCTACR1MGLLUSP2
SCHEMBL9565788 0.71 RHOC (0.48) RHOARHOCTACR1MGLLUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 RHOA 3912/4885RHOC 3762/4885TACR1 3/4885

“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.