SCHEMBL10293188

SCHEMBL10293188

CCn1nc(-c2ccccc2)c(-c2cccc(CCCCCCc3nnc(C(C)C)o3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
CARM1 Q86X55 1/20 0.34
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CES1 P23141 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
SCHEMBL10292960 1.00 ATM (0.36) ATMSPHK2SPHK1SMN1; SMN2RAB9A
SCHEMBL10292815 0.99 ATM (0.36) ATMSPHK2SPHK1SMN1; SMN2RAB9A
SCHEMBL10292959 0.97 RAB9A (0.37) ATMSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL10261621 0.92 ATM (0.36) ATMSPHK2SPHK1SMN1; SMN2RAB9A
SCHEMBL10261625 0.92 ATM (0.36) ATMSPHK2SPHK1SMN1; SMN2RAB9A
SCHEMBL10260440 0.91 ATM (0.36) ATMSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL10260872 0.88 RAB9A (0.37) ATMSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL10293079 0.82 FAAH (0.30) ALDH1A1CES1
SCHEMBL10293080 0.81 CYP1A2 (0.31) ALDH1A1
SCHEMBL10293184 0.79 CYP1A2 (0.31) ALDH1A1KMT2A

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-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 ATM 4158/4885SPHK2 2189/4885SPHK1 1391/4885

“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.