SCHEMBL23657668

SCHEMBL23657668

O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.69
RAB9A P51151 10/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 3/20 0.69
LMNA P02545 1/20 0.64
HPGD P15428 3/20 0.64
ALDH1A1 P00352 1/20 0.64
HSD17B10 Q99714 1/20 0.64
FGFR1 P11362 7/20 0.62
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL23680588 0.82 HPGD (0.62) TP53HPGDALDH1A1FGFR1
SCHEMBL7989436 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53LMNA
Hydrochloric Acid SCHEMBL7976246 0.80 NPC1 (0.97) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL7987076 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL7986579 0.78 RAB9A (0.71) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6756590 0.77 FGFR1 (1.00) ALDH1A1FGFR1
Hydrochloric Acid SCHEMBL7990425 0.77 RAB9A (0.98) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL7989417 0.77 FGFR1 (1.00) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL17531409 0.77 FGFR1 (0.57) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL30343716 0.76 FGFR1 (1.00) NPC1RAB9ALMNAHPGDALDH1A1

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA NPC1 1022/4885RAB9A 4056/4885SMN1; SMN2 3198/4885

“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.