SCHEMBL13197852

SCHEMBL13197852

CCCCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NCCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 3/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NAMPT P43490 2/20 0.46
MCHR1 Q99705 1/20 0.46
QPCT Q16769 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13197843 0.89 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTKMT2AGAA
SCHEMBL13197849 0.88 MCHR1 (0.45) KMT2AMEN1ALDH1A1MCHR1MAPT
SCHEMBL13197821 0.88 NAMPT (0.51) SMN1; SMN2LMNAHTTMAPK1GAA
SCHEMBL13197851 0.88 MCHR1 (0.48) KMT2AMEN1MCHR1MAPTCYP3A4
SCHEMBL13197835 0.88 NAMPT (0.50) SMN1; SMN2LMNAMAPK1KMT2AMEN1
SCHEMBL13197815 0.88 NAMPT (0.45) SMN1; SMN2LMNAHTTKMT2AGAA
SCHEMBL13197912 0.88 MCHR1 (0.44) MCHR1MAPT
SCHEMBL13197828 0.87 CYP1A2 (0.45) SMN1; SMN2LMNAHTTKMT2AGAA
SCHEMBL2568682 0.87 MCHR1 (0.48) KMT2AMEN1MCHR1MAPTCYP3A4
SCHEMBL13197967 0.87 MCHR1 (0.48) MAPK1KMT2AGAAMEN1KDM4E

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
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
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
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 SMN1; SMN2 2449/4885LMNA 3009/4885HTT 4222/4885

“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.