SCHEMBL12232190

SCHEMBL12232190

Cc1ncc2cc(C)c(C)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDGFRB P09619 2/20 0.37
BACE1 P56817 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
TERT O14746 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAA P10253 3/20 0.35
POLB P06746 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
SCHEMBL26342948 0.83 TERT (0.32) ALDH1A1KDM4ESMN1; SMN2TERT
SCHEMBL25105492 0.83 KDM4E (0.37) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL25105738 0.80 ALDH1A1 (0.51) ALDH1A1NQO2KDM4EMAPTNPC1
SCHEMBL21416750 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL26342993 0.77 LCK (0.51) ALDH1A1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL28236537 0.77 TERT (0.43) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL27350727 0.77 KDM4E (0.58) ALDH1A1NQO2KDM4EMAPTNPC1
SCHEMBL25010169 0.76 CYP1A2 (0.46) ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL12033738 0.76 CYP1A2 (0.52) ALDH1A1NQO2KDM4EMAPTNPC1
SCHEMBL1483585 0.74 ALDH1A1 (0.65) ALDH1A1NQO2KDM4EMAPTSMN1; SMN2

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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885NQO2 909/4885KDM4E 1193/4885

“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.