SCHEMBL4925906

SCHEMBL4925906

Cc1c[n+]([O-])c(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.36
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1314444 0.81 CD44 (0.36) CD44CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL20772390 0.77
SCHEMBL1010127 0.73
SCHEMBL29671003 0.71 TSHR (0.42) CYP3A4ALDH1A1
SCHEMBL624089 0.71 TSHR (0.42) CYP3A4ALDH1A1
SCHEMBL12935316 0.69 HSD11B1 (0.32)
SCHEMBL693936 0.67 MAPT (0.40) CYP3A4ALDH1A1
SCHEMBL15268568 0.66 CYP1A2 (0.44) CYP3A4ALDH1A1
SCHEMBL3060390 0.66 VCAM1 (0.46) CYP3A4ALDH1A1
SCHEMBL3988585 0.64 KMT2A (0.46) ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
WO-2006035967-A1 PYRIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR TREATING DISEASES RELATED TO MCH RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 CD44 2089/4885CYP3A4 454/4885ALDH1A1 1549/4885

“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.