SCHEMBL9671236

SCHEMBL9671236

O=c1c2ccc(Cl)cc2nc(S)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ EGFR P00533 4/20 0.49
▸ MAT2A P31153 4/20 0.49
▸ APAF1 O14727 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ IDO2 Q6ZQW0 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL9671456 0.90 KDM4E (0.51) SMN1; SMN2MAT2AAPAF1IDO1TDO2
SCHEMBL13747380 0.86 SMN1; SMN2 (0.60) SMN1; SMN2APAF1IDO1TDO2IDO2
SCHEMBL9670555 0.83 NPC1 (0.58) SMN1; SMN2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL14697075 0.76 SMN1; SMN2 (0.56) SMN1; SMN2IDO1TDO2IDO2KMT2A
SCHEMBL14697392 0.76 LMNA (0.49) SMN1; SMN2APAF1IDO1TDO2IDO2
SCHEMBL10275449 0.76 TDO2 (0.54) SMN1; SMN2MAT2ATDO2IDO2KMT2A
SCHEMBL10744234 0.76 PDE7A (0.49) SMN1; SMN2ALDH1A1
SCHEMBL9670132 0.75 POLB (0.57) SMN1; SMN2ALDH1A1
SCHEMBL9670140 0.75 MEN1 (0.51) SMN1; SMN2IDO1TDO2IDO2KMT2A
SCHEMBL28924732 0.75 KMT2A (0.58) KMT2ACYP1A2CYP2D6CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
EP-0276825-B1 4 (3H)-QUINAZOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-09 — — EP disclosed
US-5008266-A Antiulcer agent NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-04-16 — — US disclosed
US-4861780-A 4(3H)-quinazolinone derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-08-29 — — US disclosed
EP-0276825-A1 4 (3H)-Quinazolinone derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-08-03 — — EP disclosed
US-4652558-A FUNGICIDES, INSECTICIDES CHEVRON RESEARCH COMPANY (US) 1987-03-24 — — 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 SMN1; SMN2 1771/4885EGFR 2811/4885MAT2A 517/4885

“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.

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