SCHEMBL14948298

SCHEMBL14948298

Cc1ccc2c(=O)cc(C(C)N(C)C)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KIF11 P52732 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PBK Q96KB5 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDK4 P11802 1/20 0.36

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
SCHEMBL14948300 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL14948301 0.81 CYP1A2 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL16442084 0.73 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL8873180 0.68 CA12 (0.56) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL9387738 0.68 DAO (0.65) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL9180711 0.68 LMNA (0.49) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL2909546 0.67 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL30935699 0.66 HPGD (0.77) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4256780 0.66 KIF11 (0.78) ALDH1A1KDM4EMEN1KMT2AKIF11
SCHEMBL29518339 0.66 KIF11 (0.78) ALDH1A1KDM4EMEN1KMT2AKIF11

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-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — 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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 ALDH1A1 1746/4885KDM4E 3631/4885MEN1 4865/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 ALDH1A1 1768/4885KDM4E 3449/4885MEN1 4861/4885

“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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