SCHEMBL10136799

SCHEMBL10136799

COC(=O)/C=C(\C)Nc1cccc(OC)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
MAPT P10636 7/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
TSHR P16473 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
SCHEMBL10137052 0.86 KMT2A (0.55) MAPTNPC1MAPK1RAB9AKMT2A
SCHEMBL10137051 0.86 TSHR (0.39) P2RX7MAPTNPC1MAPK1RAB9A
SCHEMBL8293462 0.83 P2RX7 (0.45) P2RX7MAPTKMT2AKDM4EGAA
SCHEMBL1141399 0.81 P2RX7 (0.53) P2RX7MAPTMAPK1KMT2AKDM4E
SCHEMBL6240774 0.81 KMT2A (0.53) P2RX7MAPTNPC1RAB9AKMT2A
SCHEMBL2560215 0.80 ALDH1A1 (0.49) MAPTNPC1MAPK1RAB9AKMT2A
SCHEMBL9836488 0.78 HPGD (0.58) MAPTNPC1MAPK1RAB9AKMT2A
SCHEMBL9836482 0.78 HPGD (0.58) MAPTNPC1MAPK1RAB9AKMT2A
SCHEMBL20597533 0.78 P2RX7 (0.53) P2RX7MAPTMAPK1KMT2AKDM4E
SCHEMBL28918759 0.77 SMN1; SMN2 (0.57) MAPTNPC1MAPK1RAB9AKMT2A

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-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 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 (3 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC P2RX7 1805/4885MAPT 4315/4885NPC1 150/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC P2RX7 1805/4885MAPT 4315/4885NPC1 150/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC P2RX7 1805/4885MAPT 4315/4885NPC1 150/4885

“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.