SCHEMBL23657487

SCHEMBL23657487

Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
HDAC2 Q92769 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TRPV1 Q8NER1 2/20 0.57
AGER Q15109 1/20 0.54
ADORA2A P29274 3/20 0.53

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
SCHEMBL3879405 0.87 TRPV1 (0.60) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28835090 0.80 AGER (0.58) RAB9ANPC1SMN1; SMN2HDAC2HDAC3
SCHEMBL17066707 0.79 RAB9A (0.88) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL15214314 0.79 RAB9A (0.88) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25970267 0.79 RAB9A (0.88) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25491824 0.79 RAB9A (0.88) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL558643 0.79 PDPK1 (0.63) RAB9ANPC1SMN1; SMN2HDAC2HDAC3
Water SCHEMBL20550178 0.77 ADRB2 (0.62) RAB9ANPC1SMN1; SMN2HDAC2HDAC3
SCHEMBL12310125 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HDAC1HDAC6
SCHEMBL822378 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HDAC1HDAC6

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 1022/4885SMN1; 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.