SCHEMBL4833561

SCHEMBL4833561

C=CCNC(=O)[CH]Cc1ccc(-c2ccccc2)c(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
BCAT2 O15382 1/20 0.41
FOLH1 Q04609 1/20 0.41
HPGD P15428 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 1/20 0.36

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
SCHEMBL3157851 0.78 NAMPT (0.41) BCAT2FOLH1HTTKMT2ACHRNB2
SCHEMBL3657167 0.73 BCAT2 (0.47) BCAT2FOLH1LTB4RLTB4R2IKBKB
SCHEMBL9929714 0.70 BCAT2 (0.44) BCAT2FOLH1LTB4RLTB4R2IKBKB
SCHEMBL8517092 0.69 HPGD (0.62) ALOX15HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3169510 0.68 BCAT2 (0.51) BCAT2FOLH1LTB4RLTB4R2IKBKB
SCHEMBL8734298 0.67 BCAT2 (0.59) BCAT2KDM4ENPC1RAB9ALTB4R2
SCHEMBL4827749 0.67 CNR1 (0.46) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL7143640 0.67 FOLH1 (0.40) BCAT2FOLH1LTB4RLTB4R2IKBKB
SCHEMBL10447743 0.66 CYP3A4 (0.54) FOLH1HPGDCYP3A4MAPTKDM4E
SCHEMBL461826 0.65 HPGD (0.66) ALOX15HPGDCYP1A2CYP3A4CYP2C19

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 ALOX15 592/4885BCAT2 929/4885FOLH1 2722/4885

“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.