SCHEMBL22926423

SCHEMBL22926423

O=C(Nc1cccnc1)Nc1ccc(F)cc1F

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.70
TAAR1 Q96RJ0 1/20 0.70
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NPC1 O15118 3/20 0.69
GAA P10253 1/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
TP53 P04637 1/20 0.60
ATM Q13315 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
AHR P35869 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL22926421 0.84 TAAR1 (0.64) HTTTAAR1RAB9ANPC1MEN1
SCHEMBL824577 0.84 KMT2A (0.69) HTTTAAR1RAB9ASMN1; SMN2NPC1
SCHEMBL22926673 0.82 TAAR1 (1.00) HTTTAAR1RAB9ANPC1MEN1
SCHEMBL17609477 0.82 RAB9A (1.00) HTTRAB9ASMN1; SMN2NPC1GAA
Water SCHEMBL30430295 0.81 HTT (0.97) HTTTAAR1RAB9ASMN1; SMN2NPC1
SCHEMBL22926426 0.81 TAAR1 (0.80) HTTTAAR1RAB9ANPC1MEN1
SCHEMBL27193044 0.80 RAB9A (0.77) HTTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL30051982 0.80 MEN1 (0.77) HTTTAAR1RAB9ANPC1MEN1
SCHEMBL9637653 0.80 MEN1 (0.77) HTTTAAR1RAB9ANPC1MEN1
SCHEMBL14062228 0.79 GAA (0.76) RAB9ASMN1; SMN2NPC1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION (CN) 2021-01-28 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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY SLC14A1, UACA, UROD HTT 4212/4885TAAR1 3950/4885RAB9A 1093/4885

“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.