SCHEMBL4827749

SCHEMBL4827749

NC(=O)c1cc(Cl)ccc1CCNC(=O)[CH]Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
HPGD P15428 2/20 0.46
MCHR1 Q99705 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
METAP2 P50579 1/20 0.41
HIF1A Q16665 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
KCNA3 P22001 1/20 0.39
MAPT P10636 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ADRA1D P25100 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL14289967 0.72 ADRA1D (0.52) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4831961 0.71 LMNA (0.42) CNR1HPGDALDH1A1MEN1KMT2A
SCHEMBL14861102 0.69 ALDH1A1 (0.51) HPGDPLAAT5PLAAT4ALDH1A1TAAR1
SCHEMBL4831945 0.68 FFAR1 (0.46) HPGDALDH1A1TAAR1MAPTMEN1
SCHEMBL3139295 0.68 EPHX2 (0.46) ALDH1A1ADRA1D
SCHEMBL1153954 0.67 CDK1 (0.54) ALDH1A1MAPTNLRP3MEN1KMT2A
SCHEMBL6093690 0.67 MAPT (0.69) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3655099 0.67 DNMT3A (0.77) NLRP3
SCHEMBL4833561 0.67 ALOX15 (0.43) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL5096118 0.67 KDM4E (0.50) ALDH1A1ADRA1D

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-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

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 CNR1 2850/4885HPGD 1846/4885MCHR1 3079/4885

“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.