SCHEMBL23657562

SCHEMBL23657562

Clc1ccc(-c2nc(-c3cnccn3)no2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 1.00
▸ NPC1 O15118 12/20 1.00
▸ PKM P14618 9/20 1.00
▸ NR1H4 Q96RI1 1/20 0.53
▸ GRM5 P41594 3/20 0.51
▸ SMN1; SMN2 Q16637 10/20 0.50
▸ TP53 P04637 10/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48

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
SCHEMBL24681052 0.84 RAB9A (0.73) RAB9ANPC1PKMNR1H4GRM5
SCHEMBL10353034 0.76 RAB9A (0.60) RAB9ANPC1PKMSMN1; SMN2ALDH1A1
SCHEMBL5959908 0.76 RAB9A (0.72) RAB9ANPC1PKMNR1H4SMN1; SMN2
SCHEMBL4551922 0.74 CASP3 (0.66) RAB9ANPC1PKMGRM5HPGD
SCHEMBL29661988 0.71 NPC1 (0.55) RAB9ANPC1PKMSMN1; SMN2ALDH1A1
SCHEMBL1423031 0.71 CHRNB2 (0.71) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL6780851 0.71 S1PR1 (0.55) RAB9ANPC1PKMNR1H4SMN1; SMN2
SCHEMBL28637707 0.70 NR1H4 (0.78) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL28651531 0.70 NR1H4 (0.78) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL9965991 0.70 NPC1 (0.54) RAB9ANPC1PKMGRM5SMN1; SMN2

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 RAB9A 4056/4885NPC1 1022/4885PKM 3827/4885

“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.

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