SCHEMBL4918510

SCHEMBL4918510

O=C(NCCc1cccs1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 5/20 0.54
SLC2A1 P11166 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 3/20 0.51
CNR1 P21554 3/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL14465082 0.89 CA12 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4922221 0.85 NPC1 (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4926246 0.84 MEN1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4913228 0.82 CA12 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4917108 0.78 CA12 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4923534 0.78 CA12 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4921458 0.77 NPC1 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4918739 0.77 EPHX1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30223252 0.76 MEN1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4922773 0.75 CA12 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 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 (2 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-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R MEN1 4843/4885KMT2A 1905/4885NPC1 148/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R MEN1 4843/4885KMT2A 1905/4885NPC1 148/4885

“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.