SCHEMBL10097274

SCHEMBL10097274

CCn1c(-c2ccccc2)c(C#N)c2ccc(C(N)=O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
PRF1 P14222 1/20 0.40
DPP4 P27487 4/20 0.39
GRIK2 Q13002 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL10097273 0.90 KMT2A (0.39) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL10095332 0.87 GRIA4 (0.40) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL10095303 0.87 JAK2 (0.44) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL10097272 0.86 PARP1 (0.47) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL2881904 0.85 KDM4E (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2878311 0.82 AR (0.38) ALDH1A1KDM4EPOLBKMT2ANPC1
SCHEMBL2881153 0.82 GRIK2 (0.47) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10095480 0.82 PARP1 (0.47) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL10097251 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL2876698 0.81 PARP10 (0.47) ALDH1A1KDM4EPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885KDM4E 3703/4885POLB 703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885KDM4E 4208/4885POLB 2388/4885

“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.