SCHEMBL29703261

SCHEMBL29703261

O=c1c2ccccc2cnn1-c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PLA2G10 O15496 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PAX8 Q06710 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL29703277 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966292 0.83 CYP17A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL7884958 0.79 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29703282 0.79 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29480967 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL22552282 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966265 0.78 KMT2A (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL29703245 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL9665772 0.74 RAB9A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966224 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 NPC1 1087/4885RAB9A 1699/4885SMN1; SMN2 1246/4885

“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.