SCHEMBL20964629

SCHEMBL20964629

CC(C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 7/20 0.65
POLB P06746 2/20 0.61
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 4/20 0.56
HSP90AA1 P07900 2/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 2/20 0.54
JAK2 O60674 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
MC4R P32245 1/20 0.54
CCR6 P51684 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54

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
SCHEMBL25057001 0.86 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL22799327 0.84 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL22797813 0.82 SCN9A (0.73) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL28999183 0.82 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL22798323 0.81 SCN9A (0.74) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL13970642 0.79 POLB (0.62) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL22809456 0.79 POLB (0.69) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL28981214 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL30310013 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL30310014 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 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 (2 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 SMN1; SMN2 263/4885ALDH1A1 141/4885POLB 2781/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 SMN1; SMN2 2477/4885ALDH1A1 870/4885POLB 298/4885

“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.