SCHEMBL8213947

SCHEMBL8213947

Cn1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.48
▸ ALDH1A1 P00352 10/20 0.48
▸ RAB9A P51151 10/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.48
▸ NPC1 O15118 8/20 0.48
▸ MAPT P10636 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ GAA P10253 6/20 0.48
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 4/20 0.45
▸ PKM P14618 3/20 0.45
▸ PTGS1 P23219 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ GLA P06280 4/20 0.40
▸ TP53 P04637 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL13510677 0.80 KDM4E (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13509036 0.79 KDM4E (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8205966 0.77 KMT2A (0.48) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8013007 0.70 TDP1 (0.42) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL11993125 0.70 MAPT (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8215286 0.68 KMT2A (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10435152 0.68 KDM4E (0.49) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
(Z)-1,2-Diphenylethene SCHEMBL28557293 0.67 MAOB (0.61) ALDH1A1LMNAMAPK1KMT2ARELA
(Z)-1,2-Diphenylethene SCHEMBL1892609 0.67 MAOB (0.61) ALDH1A1LMNAMAPK1KMT2ARELA
(Z)-1,2-Diphenylethene SCHEMBL1892612 0.67 MAOB (0.61) ALDH1A1LMNAMAPK1KMT2ARELA

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC KDM4E 1545/4885ALDH1A1 1237/4885RAB9A 3387/4885

“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.

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