SCHEMBL12438375

SCHEMBL12438375

Cc1ccc(-n2ccc(C(C)C)cc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
MGLL Q99685 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL889379 0.89 MGLL (0.48) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL10140801 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL4627329 0.84 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL10140954 0.82 LMNA (0.47) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL890168 0.79 F2 (0.52) F2ELANECTSGCMA1CTRC
SCHEMBL7765437 0.76 ALDH1A1 (0.70) F2ELANECTSGCMA1CTRC
SCHEMBL12927339 0.74 F2 (0.47) F2ELANECTSGCMA1CTRC
SCHEMBL10059817 0.74 ALDH1A1 (0.41) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL16352663 0.74 F2 (0.38) F2ELANECTSGCMA1CTRC
SCHEMBL10121965 0.71 MGLL (0.42) ALDH1A1ALOX15HTTATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 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 (2 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 F2 2117/4885ELANE 2014/4885CTSG 200/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 F2 2757/4885ELANE 1168/4885CTSG 456/4885

“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.