SCHEMBL22800993

SCHEMBL22800993

Cc1ccc(C)c(CNCCNC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4C Q9H3R0 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SETDB1 Q15047 1/20 0.38

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
SCHEMBL30262248 0.83 NPC1 (0.48) NPC1RAB9ALMNAHTTPOLB
SCHEMBL8385469 0.80 NPC1 (0.61) NPC1RAB9AKDM4CLMNAHTT
SCHEMBL20827561 0.77 NPC1 (0.61) NPC1RAB9AKDM4CLMNAHTT
SCHEMBL11235509 0.76 TAAR1 (0.58) NPC1RAB9AKDM4CTAAR1POLB
SCHEMBL9830276 0.76 NLRP3 (0.48) NPC1RAB9AMEN1KMT2AS1PR1
Acetic Acid SCHEMBL11587316 0.75 NPSR1 (0.49) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL11922803 0.75 CHRM2 (0.47) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL1520513 0.75 NPC1 (0.59) NPC1RAB9AKDM4CLMNAHTT
SCHEMBL14397866 0.73 TAAR1 (0.55) NPC1RAB9ATAAR1
SCHEMBL30787471 0.73 NPC1 (0.57) NPC1RAB9AKDM4CLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 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-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS NPC1 347/4885RAB9A 3122/4885KDM4C 1817/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS NPC1 347/4885RAB9A 3122/4885KDM4C 1817/4885

“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.