SCHEMBL926428

SCHEMBL926428

Cn1nnc(-c2cc([N+](=O)[O-])ccc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
RAB9A P51151 2/20 0.40
VCAM1 P19320 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL27612611 0.77 LMNA (0.41) ALDH1A1LMNAMAPTCASP1CASP3
SCHEMBL1674287 0.76 XDH (0.49) ALDH1A1HSD17B10MAPTRAB9AMEN1
SCHEMBL926356 0.75 LMNA (0.56) ALDH1A1HSD17B10LMNAMAPTCASP1
SCHEMBL928504 0.75 EPHX2 (0.42) ALDH1A1HSD17B10LMNAMAPTRAB9A
SCHEMBL2651131 0.74 ALDH1A1 (0.57) ALDH1A1LMNAMAPTRAB9APOLB
SCHEMBL29678264 0.74 ALDH1A1 (0.57) ALDH1A1LMNAMAPTRAB9APOLB
SCHEMBL17825433 0.73 CYP19A1 (0.48) ALDH1A1LMNAMAPTPOLBMEN1
SCHEMBL27549152 0.73 HSD17B10 (0.55) ALDH1A1HSD17B10MAPTCCNB2CDK1
SCHEMBL30056289 0.72 MAPT (0.50) ALDH1A1HSD17B10LMNAMAPTCASP1
SCHEMBL29074776 0.72 HSPB1 (0.43) ALDH1A1LMNAMAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875609-B2 3-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea; treatment of the cancer of the parathyroid and the digestive tract; osteoporosis, osteopaenia and Paget's disease, rheumatoid arthritis and osteoarthritis GALAPAGOS SASU (FR) 2011-01-25 US disclosed
US-7875609-B2 3-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea; treatment of the cancer of the parathyroid and the digestive tract; osteoporosis, osteopaenia and Paget's disease, rheumatoid arthritis and osteoarthritis GALAPAGOS SASU (FR) 2011-01-25 US disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 EP disclosed
EP-1965805-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS Proskelia SAS (FR) 2008-09-10 EP disclosed
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them PROSKELIA SAS. (FR) 2007-08-02 US disclosed
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them PROSKELIA SAS. (FR) 2007-08-02 US disclosed
WO-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 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-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them UTS2R, CACNA1A, CACNA1E ALDH1A1 1241/4885HSD17B10 4602/4885LMNA 1829/4885

“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.