SCHEMBL918663

SCHEMBL918663

Cc1cccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
MAPT P10636 4/20 1.00
TP53 P04637 2/20 1.00
NPC1 O15118 6/20 0.95
FLT3 P36888 1/20 0.81
RAB9A P51151 6/20 0.78
POLB P06746 2/20 0.77
NOD1 Q9Y239 2/20 0.74
ALDH1A1 P00352 1/20 0.74
HPGD P15428 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
LMNA P02545 1/20 0.72
ESR2 Q92731 1/20 0.72
CTDSP1 Q9GZU7 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
KDM4E B2RXH2 1/20 0.68
TNF P01375 1/20 0.65
GRIN2C Q14957 1/20 0.65

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
SCHEMBL5455846 0.90 FLT3 (1.00) MEN1KMT2AMAPTTP53NPC1
SCHEMBL8289414 0.87 FLT3 (0.96) MEN1KMT2AMAPTTP53NPC1
SCHEMBL3916274 0.86 KMT2A (0.97) MEN1KMT2AMAPTTP53NPC1
SCHEMBL919352 0.85 MEN1 (1.00) MEN1KMT2AMAPTTP53NPC1
SCHEMBL918754 0.84 MEN1 (0.98) MEN1KMT2AMAPTTP53NPC1
SCHEMBL918590 0.84 MEN1 (0.79) MEN1KMT2AMAPTTP53NPC1
SCHEMBL21247366 0.84 RAB9A (1.00) MEN1KMT2AMAPTTP53NPC1
SCHEMBL3038723 0.83 MEN1 (0.72) MEN1KMT2AMAPTTP53NPC1
SCHEMBL12218142 0.82 MAPT (0.70) MEN1KMT2AMAPTTP53NPC1
SCHEMBL20340283 0.82 MAPT (0.96) MEN1KMT2AMAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US claimed
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 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 (5 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-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B MEN1 4250/4885KMT2A 2345/4885MAPT 768/4885
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH MEN1 3538/4885KMT2A 3454/4885MAPT 2107/4885
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MEN1 2082/4885KMT2A 4330/4885MAPT 655/4885
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MEN1 2082/4885KMT2A 4330/4885MAPT 655/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MEN1 1808/4885KMT2A 4320/4885MAPT 727/4885

“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.