SCHEMBL2312439

SCHEMBL2312439

NC(=S)Nc1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 3/20 0.57
SIGMAR1 Q99720 2/20 0.57
TP53 P04637 1/20 0.57
TYR P14679 1/20 0.57
TSHR P16473 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL4047674 0.85 KMT2A (0.76) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL28879854 0.84 TAS2R38 (0.57) KMT2ACYP1A2ALDH1A1SIGMAR1TAS2R38
SCHEMBL5442377 0.83 CA12 (0.66) KMT2ACYP1A2ALDH1A1SIGMAR1TAS2R38
SCHEMBL5180715 0.80 SIGMAR1 (0.57) ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL1184711 0.80 SIGMAR1 (0.57) KMT2ACYP1A2SIGMAR1GRIN2DGRIN3B
SCHEMBL220272 0.79 ALDH1A1 (0.48) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL28936790 0.78 KMT2A (0.66) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL29654010 0.78 KMT2A (0.66) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL1884582 0.78 KMT2A (1.00) KMT2ACYP1A2ALDH1A1SIGMAR1TP53
SCHEMBL4174363 0.77 CA12 (0.55) KMT2ACYP1A2ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450112-B A kind of nitrogenous five member ring heterocyclic compound that N- bridging connects and its preparation and purposes 华东理工大学 2019-09-13 CN disclosed
US-8877908-B2 Stimulus-responsive apta chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-11-04 US disclosed
US-8877908-B2 Stimulus-responsive apta chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-11-04 US disclosed
CN-103450112-A N-bridge connected nitrogenous five-membered heterocyclic compound and preparation and application thereof UNIV EAST CHINA SCIENCE & TECH 2013-12-18 CN disclosed
US-20110190483-A1 Stimulus-Responsive Apta Chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-08-04 US disclosed
US-20110190483-A1 Stimulus-Responsive Apta Chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-08-04 US disclosed
WO-2010006238-A2 STIMULUS-RESPONSIVE APTA-CHELAMERS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2010-01-14 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KMT2A 792/4885CYP1A2 407/4885ALDH1A1 2069/4885
US-20110190483-A1 Stimulus-Responsive Apta Chelamers CNBP, CREB1, ATF4 KMT2A 3080/4885CYP1A2 4878/4885ALDH1A1 4702/4885

“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.