SCHEMBL4248933

SCHEMBL4248933

Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
GNRHR P30968 8/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
PPP1CA P62136 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7202144 0.87 GNRHR (0.46) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL7747096 0.83 ALDH1A1 (0.46) ALDH1A1GNRHRMEN1KMT2ALMNA
SCHEMBL29696460 0.80 SLC11A2 (0.37) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL29696469 0.80 SLC11A2 (0.37) ALDH1A1GNRHRMEN1KMT2ALMNA
SCHEMBL29382466 0.79 APP (0.34) GNRHRMEN1KMT2ALMNAPOLB
SCHEMBL29696435 0.78 SLC11A2 (0.37) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL29696443 0.78 SLC11A2 (0.37) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL29696456 0.77 SLC11A2 (0.38) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL29696450 0.77 SLC11A2 (0.35) ALDH1A1HTTGNRHRMEN1KMT2A
SCHEMBL29634921 0.75 SIRT2 (0.39) ALDH1A1HTTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917978-B1 Premature ovulation preventive agent TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1917978-A1 PREMATURE OVULATION PREVENTIVE AGENT Takeda Pharmaceutical Company Limited (JP) 2008-05-07 EP disclosed
US-20040116522-A1 Medicinal solutions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1163244-B1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
EP-1393747-A1 PREVENTIVES/REMEDIES FOR ALZHEIMER'S DISEASE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
US-20040034039-A1 Solid preparations TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
US-20040023987-A1 Sustained release compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
EP-1374855-A1 MEDICINAL SOLUTIONS Takeda Chemical Industries, Ltd. (JP) 2004-01-02 EP disclosed
EP-0808317-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-10 EP disclosed
US-20030134863-A1 Preventives/remedies for alzheimer's disease TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-07-17 US disclosed
EP-1319409-A1 SOLID PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2003-06-18 EP disclosed
EP-1291023-A1 SUSTAINED RELEASE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2003-03-12 EP disclosed
US-6340686-B1 GONADOTROPIN-RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
US-6297379-B1 GONADOTROPIN RELEASING HORMONE (GNRH, SOMETIMES CALLED LH-RH (LUTEINIZING HORMONE RELEASING HORMONE)) ANTAGONIZING ACTIVITY, TREATING SEX HORMONE-DEPENDENT DISEASES. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 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 (4 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-20030134863-A1 Preventives/remedies for alzheimer's disease ACHE, GNRHR, PSEN1 ALDH1A1 2627/4885HTT 15/4885GNRHR 2/4885
US-20040023987-A1 Sustained release compositions NGLY1, GHSR, GHRHR ALDH1A1 4808/4885HTT 1836/4885GNRHR 46/4885
US-20040034039-A1 Solid preparations GYS1, GYS2, SI ALDH1A1 2943/4885HTT 3970/4885GNRHR 3501/4885
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT GNRHR, FSHR, LHCGR ALDH1A1 4291/4885HTT 1229/4885GNRHR 1/4885

“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.