SCHEMBL19224717

SCHEMBL19224717

O=Cc1nnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
DGAT1 O75907 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
PTGER1 P34995 1/20 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
SCHEMBL19224690 0.82 RAB9A (0.56) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL13237374 0.75 NPC1 (0.54) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL602528 0.75 HPGD (0.55) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL28866779 0.75 NPC1 (0.54) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL29291088 0.74 MAPT (0.53) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL8710880 0.73 NPC1 (0.48) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL21654633 0.72 NPSR1 (0.43) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL28794403 0.71 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL13218158 0.71 NPSR1 (0.55) NPC1RAB9ANPSR1TP53HPGD
SCHEMBL12206950 0.71 NPC1 (0.37) NPC1RAB9ANPSR1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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 (3 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NPC1 1287/4885RAB9A 2053/4885NPSR1 4297/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NPC1 1287/4885RAB9A 2053/4885NPSR1 4297/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NPC1 1287/4885RAB9A 2053/4885NPSR1 4297/4885

“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.