SCHEMBL5529686

SCHEMBL5529686

NC(=S)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
MAOB P27338 2/20 0.51
BCAT2 O15382 1/20 0.47
AOC3 Q16853 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TAS2R38 P59533 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4530594 0.84 BCAT2 (0.68) BCAT2AOC3ALDH1A1TAAR1LMNA
SCHEMBL1605547 0.82 AOC3 (0.58) BCAT2AOC3TP53TAAR1
SCHEMBL1605295 0.82 AOC3 (0.58) BCAT2AOC3TP53TAAR1
SCHEMBL7518450 0.80 MTNR1A (0.58) KDM1AMAOBALDH1A1HTR2ALMNA
SCHEMBL27924275 0.80 BCAT2 (0.49) BCAT2ALDH1A1
SCHEMBL3903374 0.79 BCAT2 (0.72) KDM1ABCAT2LMNA
SCHEMBL29042380 0.78 BCAT2 (0.40) KDM1AMAOBBCAT2AOC3ALDH1A1
SCHEMBL16628612 0.78 CA12 (0.55) KDM1AMAOBLMNAGRIN1GRIN2A
SCHEMBL16628471 0.78 CA12 (0.52) KDM1AMAOBLMNAGRIN1GRIN2A
Potassium Ion SCHEMBL16628440 0.78 CA12 (0.52) KDM1AMAOBLMNAGRIN1GRIN2A

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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 (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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR KDM1A 2872/4885MAOB 757/4885BCAT2 2217/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KDM1A 913/4885MAOB 233/4885BCAT2 467/4885

“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.