SCHEMBL13197843

SCHEMBL13197843

CC(C)=CCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NCCCn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 2/20 0.44
GAA P10253 3/20 0.44
QPCT Q16769 1/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MCHR1 Q99705 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13197828 0.93 CYP1A2 (0.45) ALDH1A1NAMPTGAAQPCTMAPT
SCHEMBL13206899 0.91 CYP1A2 (0.44) ALDH1A1NAMPTGAAQPCTMAPT
SCHEMBL13197852 0.89 SMN1; SMN2 (0.51) ALDH1A1NAMPTGAAQPCTMAPT
SCHEMBL13197842 0.88 FLT1 (0.42) NAMPTMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL13197845 0.88 MCHR1 (0.45) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13197906 0.87 MCHR1 (0.42) MAPTMCHR1
SCHEMBL13197841 0.86 MCHR1 (0.46) NAMPTMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL13197815 0.86 NAMPT (0.45) ALDH1A1NAMPTGAAQPCTMAPT
SCHEMBL13197835 0.86 NAMPT (0.50) ALDH1A1NAMPTQPCTTSHRCYP1A2
SCHEMBL13197821 0.84 NAMPT (0.51) ALDH1A1NAMPTGAAQPCTCYP1A2

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-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 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-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 ALDH1A1 770/4885NAMPT 1354/4885GAA 371/4885

“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.