SCHEMBL4780444

SCHEMBL4780444

COCCOCc1csc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 5/20 0.52
HTT P42858 4/20 0.52
GAA P10253 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PDE5A O76074 2/20 0.45
POLB P06746 1/20 0.44
MIF P14174 1/20 0.44

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
SCHEMBL4793221 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL91572 0.81 RAB9A (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4780525 0.81 SIRT1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4726402 0.81 KMT2A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4726533 0.80 RAB9A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28173036 0.77 FAAH (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4726284 0.75 MEN1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL146652 0.74 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4782084 0.74 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL3513842 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 NPC1 2049/4885RAB9A 1509/4885SMN1; SMN2 4077/4885

“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.