SCHEMBL19965722

SCHEMBL19965722

CCC(C)c1ccc(C2C(=O)N(C)CCN2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ABCB1 P08183 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14924011 0.85 HPGD (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15650719 0.75 CYP19A1 (0.46) ALDH1A1KMT2AKDM4EMAPT
SCHEMBL14912047 0.75 CYP19A1 (0.46) ALDH1A1KMT2AKDM4EMAPT
SCHEMBL520940 0.75 CYP19A1 (0.46) ALDH1A1KMT2AKDM4EMAPT
SCHEMBL30754606 0.75 PRCP (0.49) KMT2A
SCHEMBL22503012 0.73 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL519679 0.71 SIRT6 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL14926277 0.70 CHRNA7 (0.37)
SCHEMBL14930417 0.68 CHRNB1 (0.36) ALDH1A1KDM4E
SCHEMBL29515030 0.67 CHRNB2 (0.43) ALDH1A1MEN1KMT2A

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-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 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-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK ALDH1A1 4684/4885NPSR1 4134/4885ABCB1 2786/4885

“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.