SCHEMBL23657490

SCHEMBL23657490

Clc1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 3/20 0.42
NOTUM Q6P988 3/20 0.41
METAP2 P50579 1/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
PPARG P37231 2/20 0.40
NCOA2 Q15596 2/20 0.40
NCOA1 Q15788 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 2/20 0.38
HAO1 Q9UJM8 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 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
SCHEMBL1245913 0.84 RAB9A (0.51) SMN1; SMN2MAPTMETAP2RAB9ANPC1
SCHEMBL15090444 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNOTUMRAB9ANPC1
SCHEMBL1645103 0.78 METAP2 (0.50) MAPTNOTUMMETAP2RAB9ANPC1
Hydrochloric Acid SCHEMBL10565482 0.76 METAP2 (0.48) MAPTNOTUMMETAP2RAB9ANPC1
SCHEMBL28822256 0.74 LTA4H (0.51) MAPTNOTUMMETAP2ALDH1A1KDM4E
Methylamine SCHEMBL27885520 0.73 METAP2 (0.46) MAPTNOTUMMETAP2RAB9ANPC1
SCHEMBL10625604 0.69 ABL1 (0.45) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL16766999 0.68 LMNA (0.36) SMN1; SMN2MAPTNOTUMMETAP2RAB9A
SCHEMBL2053083 0.68 CYP2A6 (0.40) SMN1; SMN2MAPTRAB9ANPC1PPARG
SCHEMBL2095935 0.68 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNOTUMRAB9ANPC1

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 SMN1; SMN2 3198/4885MAPT 4875/4885NOTUM 3733/4885

“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.