SCHEMBL21393166

SCHEMBL21393166

C=CC(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.58
RAB9A P51151 15/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
POLB P06746 3/20 0.56
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LY96 Q9Y6Y9 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 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
SCHEMBL23917250 0.97 TRPV1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24168430 0.83 BAZ2B (0.68)
SCHEMBL1506463 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1506466 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4590166 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20469931 0.79 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11896022 0.79 NPC1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22470757 0.79 ITGB3 (0.50) LMNA
SCHEMBL28997960 0.79 TDP2 (0.51) CYP1A2CYP3A4LMNA
SCHEMBL1673429 0.77 BAZ2B (0.69) NPC1RAB9AMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265047-A1 Acrylamide-Substituted Indane Compounds and Therapeutic Use Thereof SANOFI (FR) 2023-08-24 US disclosed
US-20230265047-A1 Acrylamide-Substituted Indane Compounds and Therapeutic Use Thereof SANOFI (FR) 2023-08-24 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (3 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 NPC1 37/4885RAB9A 223/4885MEN1 4319/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 NPC1 2966/4885RAB9A 2224/4885MEN1 2638/4885
US-20230265047-A1 Acrylamide-Substituted Indane Compounds and Therapeutic Use Thereof IDH2, INA, IDH3A NPC1 1325/4885RAB9A 4379/4885MEN1 2972/4885

“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.