SCHEMBL5469788

SCHEMBL5469788

O=C(C=NO)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MAPT P10636 4/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP1B1 Q16678 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAOB P27338 3/20 0.46
CXCL12 P48061 2/20 0.46
MAOA P21397 1/20 0.44
MAPK1 P28482 2/20 0.43
SRD5A2 P31213 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8420807 1.00 CES2 (0.50) CES2CES1MAPTCYP1A2HPGD
Chlorobenzene SCHEMBL28198788 0.86 MAOB (0.51) CES2CES1MAPTCYP1A2TSHR
SCHEMBL4452292 0.80 ALDH5A1 (0.56) CES2MAPTHPGDCYP1B1CA1
SCHEMBL9056522 0.80 ALDH5A1 (0.56) CES2MAPTHPGDCYP1B1CA1
SCHEMBL14842660 0.78 TPMT (0.48) CYP1A2HPGDCA1CA2CXCL12
SCHEMBL1193448 0.78 MEN1 (0.53) CES2CES1MAPTCYP1A2CYP2C19
SCHEMBL4862884 0.78 CES2 (0.50) CES2CES1MAPTCYP1A2ALOX12
SCHEMBL12997454 0.78 MEN1 (0.53) CES2CES1MAPTCYP1A2CYP2C19
SCHEMBL11490236 0.78 MEN1 (0.53) CES2CES1MAPTCYP1A2CYP2C19
SCHEMBL14842658 0.78 TPMT (0.48) CYP1A2HPGDCA1CA2CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
EP-0944576-A1 STROBILURINE ANALOGUE COMPOUNDS WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.r.l. (IT) 1999-09-29 EP disclosed
WO-1998021174-A1 STROBILURINE ANALOGUE COMPOUNDS WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 1998-05-22 WO disclosed
WO-1997021711-A1 PROCESS FOR PREPARING 4-AMINOPTERIDINE DERIVATIVES LONZA AG (CH) 1997-06-19 WO disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4217449-A Process for the preparation of bis-triazolylstilbenes BAYER AKTIENGESELLSCHAFT (DE) 1980-08-12 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 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 (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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF CES2 4513/4885CES1 1984/4885MAPT 919/4885

“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.