SCHEMBL4936641

SCHEMBL4936641

Cc1cc(Oc2ccnc(Cl)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MERTK Q12866 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL4936761 0.81 PIN1 (0.44) PIN1ALDH1A1HTTMEN1KMT2A
SCHEMBL1285413 0.80 MAPT (0.45) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL8869728 0.78 TLR4 (0.51) PIN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3176280 0.77 RAB9A (0.54) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL28256011 0.77 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL17482170 0.77 ALDH1A1 (0.49) PIN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18957469 0.76 ALDH1A1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL29851662 0.76 ALDH1A1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL4938557 0.76 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2CYP3A4HTT
SCHEMBL7862606 0.76 PDE7A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA PIN1 1996/4885ALDH1A1 3290/4885LMNA 2847/4885

“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.