SCHEMBL7088656

SCHEMBL7088656

O=C(c1sc2ccccc2c1Cl)c1sc2ccccc2c1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.76
HDAC1 Q13547 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
OGG1 O15527 1/20 0.67
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
CD274 Q9NZQ7 1/20 0.61
KDM4E B2RXH2 4/20 0.58
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.54
GABRA1 P14867 1/20 0.53
GABRA5 P31644 1/20 0.53
LMNA P02545 2/20 0.52

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
SCHEMBL11177633 0.89 MCL1 (0.72) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL64428 0.86 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL29911721 0.86 MCL1 (1.00) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL12644102 0.86 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL444722 0.86 MCL1 (1.00) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL2610241 0.85 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL5418076 0.85 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL7675240 0.85 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
Hydrochloric Acid SCHEMBL4950639 0.85 MCL1 (0.96) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL27544063 0.84 MCL1 (0.59) MCL1HDAC1HDAC8HDAC6OGG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 WO disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 MCL1 4305/4885HDAC1 1246/4885HDAC8 2377/4885
US-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS MCL1 240/4885HDAC1 1147/4885HDAC8 1243/4885

“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.