SCHEMBL10193404

SCHEMBL10193404

CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C)cc3n2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
RECQL P46063 1/20 0.41
PFKFB2 O60825 1/20 0.40
NSD2 O96028 1/20 0.40
PFKFB1 P16118 1/20 0.40
PFKFB3 Q16875 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
AS3MT Q9HBK9 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL982904 0.90 MTNR1B (0.46) ALDH1A1HSD17B10PFKFB2NSD2PFKFB1
SCHEMBL10193545 0.89 MAPK1 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL10095553 0.88 TDP1 (0.53) LMNAALDH1A1TDP1HPGDKDM4E
SCHEMBL10095629 0.88 MAPT (0.39) SMN1; SMN2ALDH1A1HSD17B10PFKFB2NSD2
SCHEMBL981395 0.88 PFKFB2 (0.42) SMN1; SMN2LMNAALDH1A1HSD17B10PFKFB2
SCHEMBL10096416 0.88 PFKFB2 (0.40) SMN1; SMN2ALDH1A1HSD17B10PFKFB2NSD2
SCHEMBL10096186 0.87 LMNA (0.42) SMN1; SMN2LMNAALDH1A1PFKFB2NSD2
SCHEMBL10095718 0.86 PFKFB2 (0.43) SMN1; SMN2ALDH1A1PFKFB2NSD2PFKFB1
SCHEMBL10096320 0.86 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL10096640 0.86 MEN1 (0.42) LMNAALDH1A1PFKFB2NSD2PFKFB1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CYP1A2 623/4885CYP2C9 1068/4885CYP2C19 1450/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP1A2 2214/4885CYP2C9 3797/4885CYP2C19 3981/4885

“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.