SCHEMBL12424430

SCHEMBL12424430

COCC(=O)NC1CCC(C(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.64
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM5A P29375 1/20 0.40
LMNA P02545 1/20 0.40
ATF4 P18848 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2090052 0.87
SCHEMBL10281501 0.83 NPSR1 (0.42) NPSR1KMT2ASMN1; SMN2
SCHEMBL23081204 0.82 NPSR1 (0.63) NPSR1KMT2AMEN1ALDH1A1KDM5A
SCHEMBL25444121 0.82 NPSR1 (0.63) NPSR1KMT2AMEN1ALDH1A1KDM5A
SCHEMBL25444138 0.82 NPSR1 (0.63) NPSR1KMT2AMEN1ALDH1A1KDM5A
SCHEMBL13130101 0.80 NPSR1 (0.70) NPSR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL15247292 0.80 SMN1; SMN2 (0.38) NPSR1KMT2AALDH1A1LMNASMN1; SMN2
Carbamic Acid SCHEMBL11200157 0.80 NPSR1 (0.70) NPSR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL22651967 0.80 NPSR1 (0.70) NPSR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14492244 0.80 NPSR1 (0.70) NPSR1KMT2AMEN1ALDH1A1LMNA

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 NPSR1 2720/4885KMT2A 1997/4885MEN1 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.