SCHEMBL15832168

SCHEMBL15832168

C=C(N)CNC(=C)NCc1ccc(C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ WDR5 P61964 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GLS O94925 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL20037838 0.76 RECQL (0.58) NAMPTHDAC1WDR5TSHRSMN1; SMN2
SCHEMBL13732044 0.73 NAMPT (0.56) NAMPTHDAC1WDR5TSHRSMN1; SMN2
SCHEMBL14075257 0.72 NAMPT (0.49) NAMPTHDAC1TSHRSMN1; SMN2GLS
SCHEMBL24016013 0.71 KMT2A (0.51) NAMPTHDAC1WDR5TSHRSMN1; SMN2
SCHEMBL14617674 0.70 PPID (0.53) NAMPTHDAC1TSHRSMN1; SMN2GAA
SCHEMBL3038971 0.68 GAA (0.45) NAMPTHDAC1TSHRSMN1; SMN2GAA
SCHEMBL25587539 0.68 HDAC6 (0.53) NAMPTHDAC1WDR5TSHRSMN1; SMN2
SCHEMBL23396202 0.67 NAMPT (0.37) NAMPTHDAC1WDR5GAAPIK3CA
SCHEMBL18997624 0.66 HPGD (0.59) NAMPTHDAC1WDR5TSHRSMN1; SMN2
SCHEMBL11629636 0.66 HDAC1 (0.57) NAMPTHDAC1ALDH1A1HPGDPIK3CA

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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 NAMPT 2634/4885HDAC1 1385/4885WDR5 1571/4885

“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.

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