SCHEMBL8917155

SCHEMBL8917155

CCC(=O)C(c1ccncc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL12980850 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2KDM4ELMNAKMT2A
SCHEMBL8921081 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2KDM4ELMNAKMT2A
SCHEMBL8916540 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNACYP2C19CYP2C9
SCHEMBL536278 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL536277 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL304924 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL10076563 0.79 HTT (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL753964 0.79 NAMPT (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL8916606 0.79 AOC3 (0.42) SMN1; SMN2ALDH1A1CYP1A2HTTLMNA
SCHEMBL888856 0.76 CYP19A1 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 SMN1; SMN2 3515/4885ALDH1A1 287/4885CYP1A2 390/4885

“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.