SCHEMBL12107151

SCHEMBL12107151

CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C)cc3n2CC)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
CHRM3 P20309 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
EGLN2 Q96KS0 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL979619 0.90 SMN1; SMN2 (0.42) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10096177 0.85 ALDH1A1 (0.41) LMNACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10096180 0.84 GRIK2 (0.39) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10096256 0.82 SMN1; SMN2 (0.43) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10096176 0.81 GRIK2 (0.40) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12408281 0.80 SMN1; SMN2 (0.41) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10193404 0.80 CYP1A2 (0.41) LMNACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10096178 0.78 GRIK2 (0.37) LMNACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10095631 0.78 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL13151738 0.78 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS LMNA 1241/4885CYP1A2 623/4885CYP2C9 1068/4885

“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.