SCHEMBL19831950

SCHEMBL19831950

CCCCc1cncc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NOS1 P29475 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NFKB1 P19838 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19619535 0.94 TDP1 (0.50) TDP1L3MBTL1NOS1TP53CYP3A4
SCHEMBL19697178 0.92 TDP1 (0.49) TDP1L3MBTL1NOS1RAB9AHPGD
SCHEMBL21230532 0.92 TDP1 (0.49) TDP1L3MBTL1NOS1RAB9AHPGD
SCHEMBL20467132 0.92 TDP1 (0.49) TDP1L3MBTL1NOS1RAB9AHPGD
SCHEMBL1913009 0.88 CYP11B1 (0.39) TDP1L3MBTL1NOS1CHRNB2CHRNA4
SCHEMBL10807925 0.85 TDP1 (0.50) TDP1L3MBTL1NOS1CHRNB2CHRNA4
SCHEMBL17657689 0.80 CYP2A6 (0.48) NOS1CHRNB2CYP11B1CYP11B2HRH3
SCHEMBL6468613 0.79
SCHEMBL27733869 0.79 TDP1 (0.59) TDP1L3MBTL1TP53CYP3A4PTGS2
SCHEMBL17848863 0.78 NOS1 (0.41) NOS1CHRNB2CYP11B1CYP11B2

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
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 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-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 TDP1 1047/4885L3MBTL1 2334/4885NOS1 1352/4885

“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.