SCHEMBL658611

SCHEMBL658611

NNC(=O)CN1C=CCC(C(=O)NCCO)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL660872 0.87 KDM4E (0.34) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL660868 0.84 LMNA (0.33) CA12CA1CA2CA9CA14
SCHEMBL660292 0.82 ALDH1A1 (0.43) KMT2AMEN1CACNA1BAPBA1KDM4E
SCHEMBL659968 0.77 TSHR (0.37) CA12CA1CA2CA9CA14
SCHEMBL14067679 0.75 LMNA (0.38) CA12CA1CA2CA9CA14
SCHEMBL287649 0.68 GRIN2B (0.38) ALDH1A1LMNA
SCHEMBL9011183 0.65 RAB9A (0.50) KDM4EALDH1A1MAPTLMNA
SCHEMBL11910903 0.60 ALDH1A1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL12963310 0.58 MAOB (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL9011348 0.58 RAB9A (0.51) KDM4EALDH1A1MAPT

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT CA12 4616/4885CA1 4734/4885CA2 3360/4885

“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.