SCHEMBL926356

SCHEMBL926356

Cn1nnnc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
HSD17B10 Q99714 1/20 0.46
KMO O15229 1/20 0.44
PTAFR P25105 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
GRK5 P34947 1/20 0.41
LIMK1 P53667 1/20 0.41
USP2 O75604 1/20 0.41
ALPG P10696 1/20 0.41
RAB9A P51151 1/20 0.41
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 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
SCHEMBL16014666 0.89 LMNA (0.60) LMNAHSD17B10KMONPC1SMN1; SMN2
SCHEMBL14531124 0.86 KMO (0.44) LMNAKMOPTAFRSMN1; SMN2ALDH1A1
SCHEMBL13225994 0.83 LMNA (0.47) LMNANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1531360 0.83 KDM4E (0.49) LMNANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1531265 0.81 LMNA (0.50) LMNANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4005594 0.81 LMNA (0.47) LMNANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13225993 0.79 LMNA (0.44) LMNANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8947340 0.76 BCL2 (0.45) LMNAALDH1A1RAB9A
SCHEMBL1674067 0.76 PTGS2 (0.57) LMNAHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL926428 0.75 ALDH1A1 (0.52) LMNAHSD17B10PTAFRSMN1; SMN2ALDH1A1

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 5 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
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

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 LMNA 1829/4885HSD17B10 4602/4885KMO 4449/4885

“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.