SCHEMBL415808

SCHEMBL415808

COc1c(C)cc(Cl)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.51
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MCL1 Q07820 1/20 0.38
SRC P12931 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PRKDC P78527 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
SCHEMBL6413771 0.82 ERN1 (0.53) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL31551028 0.82 ERN1 (0.53) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL1748175 0.81 ERN1 (0.66) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL14292141 0.81 ERN1 (0.51) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL2300015 0.80 ERN1 (0.46) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL7522554 0.80 ERN1 (0.52) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2389960 0.79 ERN1 (0.55) ERN1ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL3664240 0.79 ERN1 (0.50) ERN1ALDH1A1HPGDTDP1MEN1
SCHEMBL12504651 0.79 SCN4A (0.44) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL10023122 0.78 ERN1 (0.47) ERN1ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-0117035-B1 ALDOSE REDUCTASE INHIBITING 5-(2-ALKOXYPHENYL)THIAZOLIDINEDIONES PFIZER INC. (US) 1989-08-16 EP disclosed
EP-0112620-B1 5-(SUBSTITUTED PHENYL) HYDANTOINS PFIZER INC. (US) 1986-12-30 EP disclosed
US-4617312-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-10-14 US disclosed
EP-0117035-A2 Aldose reductase inhibiting 5-(2-alkoxyphenyl)thiazolidinediones PFIZER INC. (US) 1984-08-29 EP disclosed
EP-0112620-A1 5-(Substituted phenyl) hydantoins PFIZER INC. (US) 1984-07-04 EP disclosed
US-4457939-A DIABETIC COMPLICATIONS PFIZER INC. (US) 1984-07-03 US disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ERN1 610/4885ALDH1A1 455/4885HPGD 2716/4885

“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.