SCHEMBL5137359

SCHEMBL5137359

S=C(Nc1ccccc1)Nc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MAPT P10636 7/20 1.00
MAOA P21397 3/20 1.00
MAOB P27338 3/20 1.00
CYP3A4 P08684 3/20 0.74
TAS2R38 P59533 1/20 0.74
HSD17B10 Q99714 1/20 0.74
KMT2A Q03164 8/20 0.69
MEN1 O00255 7/20 0.69
KDM4E B2RXH2 1/20 0.69
LMNA P02545 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
HTT P42858 2/20 0.68
MAPK1 P28482 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
GAA P10253 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
CYP2D6 P10635 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66

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
SCHEMBL5455602 0.91 MAPT (0.83) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL8956372 0.91 MAPT (0.83) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL8956322 0.89 ALDH1A1 (0.94) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL132620 0.86 ALDH1A1 (1.00) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL11067809 0.84 MEN1 (0.83) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL9470190 0.84 ALDH1A1 (0.94) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL9243020 0.82 ALDH1A1 (0.81) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL16566477 0.82 KMT2A (1.00) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL9470151 0.81 ALDH1A1 (0.67) ALDH1A1MAPTMAOAMAOBCYP3A4
SCHEMBL11060530 0.81 CNR1 (0.70) ALDH1A1MAPTMAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
US-20150080580-A1 THIOUREA DERIVATIVES AS a-CHYMOTRYPSIN INHIBITORS RAHMAN ATTA-UR (PK) 2015-03-19 US disclosed
US-20150080580-A1 THIOUREA DERIVATIVES AS a-CHYMOTRYPSIN INHIBITORS RAHMAN ATTA-UR (PK) 2015-03-19 US disclosed
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed
US-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed
US-5393443-A Hard-coating, heat-absorbing composition and heat-shielding substance JUJO PAPER CO., LTD. (JP) 1995-02-28 US disclosed
US-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 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 (1 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-20150080580-A1 THIOUREA DERIVATIVES AS a-CHYMOTRYPSIN INHIBITORS SERPINB1, CTRL, RNASE1 ALDH1A1 1629/4885MAPT 2757/4885MAOA 2119/4885

“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.