SCHEMBL7566604

SCHEMBL7566604

CC(Nc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
KCNH3 Q9ULD8 1/20 0.54
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CASR P41180 3/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC2 Q92769 3/20 0.47
NCOR2 Q9Y618 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KIF11 P52732 1/20 0.44
ACP3 P15309 1/20 0.44
CCNE2 O96020 2/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43

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
SCHEMBL6542509 0.93 ALDH1A1 (0.57) GAAKCNH3ALDH1A1KDM4ECASR
SCHEMBL6542384 0.93 ALDH1A1 (0.57) GAAKCNH3ALDH1A1KDM4ECASR
SCHEMBL10054998 0.84 GAA (0.73) GAAKCNH3ALDH1A1KDM4ECASR
SCHEMBL4897243 0.83 CNR2 (0.52) KCNH3
SCHEMBL14210385 0.81 CASR (0.63) ALDH1A1KDM4ECASRTSHRKIF11
SCHEMBL12154026 0.81 CASR (0.63) ALDH1A1KDM4ECASRTSHRKIF11
SCHEMBL12269600 0.81 ATP1A1 (0.54) GAAALDH1A1HDAC1HDAC4HDAC6
SCHEMBL5604987 0.80 GAA (0.73) GAAALDH1A1KDM4ECASRHDAC1
SCHEMBL1884341 0.80 GAA (0.73) GAAALDH1A1KDM4ECASRHDAC1
SCHEMBL6376702 0.80 GAA (0.73) GAAALDH1A1KDM4ECASRHDAC1

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
CN-119591556-A N, N-disubstituted-4- (5- (trifluoromethyl) -1,2, 4-oxadiazole-3-yl) benzamide compound and preparation and application thereof 河北大学 2025-03-11 CN disclosed
WO-2009068284-A2 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF KETOIMINES CATALYSED BY TRICHLOROSILANE UNIVERSITA DEGLI STUDI DI MILANO (IT) 2009-06-04 WO disclosed
US-6384282-B2 CATALYST IS REACTION PRODUCT OF GROUP 8 METAL AND LIGAND YALE UNIVERSITY 2002-05-07 US disclosed
US-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds YALE UNIVERSITY 2002-02-07 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-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds COASY, CMA1, ATIC GAA 911/4885KCNH3 1566/4885ALDH1A1 193/4885

“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.