SCHEMBL22898347

SCHEMBL22898347

CCCCCC(C)(CC)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 3/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CES1 P23141 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
MIF P14174 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL21264367 0.96 MAPT (0.40) MAPTKMT2ATP53FAAHALDH1A1
SCHEMBL13081227 0.86 RAB9A (0.47) MAPTKMT2ATP53ALDH1A1HSD17B10
SCHEMBL21264336 0.77 RAB9A (0.44) MAPTKMT2ATP53ALDH1A1HSD17B10
SCHEMBL12677385 0.77 RAB9A (0.47) MAPTKMT2ATP53ALDH1A1HSD17B10
SCHEMBL23502560 0.74 CNR2 (0.35) CNR2
SCHEMBL23502596 0.74 CNR2 (0.35) CNR2
SCHEMBL1792867 0.72 ELANE (0.58) MAPTKMT2ATP53ALDH1A1HSD17B10
SCHEMBL11576274 0.72 RAB9A (0.48) MAPTKMT2ATP53FAAHALDH1A1
SCHEMBL5945965 0.72 RAB9A (0.42) MAPTKMT2ATP53FAAHALDH1A1
SCHEMBL23207497 0.71 MAPT (0.47) MAPTKMT2ATP53ALDH1A1HSD17B10

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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT MAPT 665/4885KMT2A 2216/4885TP53 3348/4885

“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.