SCHEMBL4831945

SCHEMBL4831945

NC(=O)NC(=O)[CH]Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
MMP12 P39900 2/20 0.45
LMNA P02545 2/20 0.44
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MMP13 P45452 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SRR Q9GZT4 2/20 0.40
PSAT1 Q9Y617 2/20 0.40
HDAC2 Q92769 2/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3345536 0.90 HTT (0.41) LMNAHTTALDH1A1TAAR1HDAC2
SCHEMBL7358482 0.81 CA2 (0.46) LMNAGAATSHRKMT2AMEN1
SCHEMBL5966615 0.78 PDPK1 (0.43) FFAR1KMT2AMEN1NR1H4
SCHEMBL4682047 0.77 HPGDS (0.53) SRRPSAT1
SCHEMBL4831961 0.76 LMNA (0.42) FFAR1LMNAABCC4GAATSHR
SCHEMBL6798017 0.75 IDO1 (0.49) LMNAGAATSHRKMT2AMEN1
Biphenyl SCHEMBL9421865 0.74 LMNA (0.48) LMNAGAATSHRALDH1A1MAPT
SCHEMBL630790 0.74 GLA (0.53) LMNAGAAKMT2AALDH1A1NR1H4
SCHEMBL4681161 0.74 HPGDS (0.53)
SCHEMBL7070183 0.73 HTT (0.42) LMNAGAAHTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO FFAR1 3667/4885MMP12 2838/4885LMNA 3037/4885

“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.