SCHEMBL3476375

SCHEMBL3476375

Cc1ccc(-c2cc(C(=O)O)cc(N3CCNCC3=O)c2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
KDM1A O60341 3/20 0.33
P2RY14 Q15391 1/20 0.33
KLKB1 P03952 2/20 0.33
XDH P47989 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3475717 0.83 L3MBTL1 (0.38) CA12CA1CA9XDHGRM2
SCHEMBL3476557 0.82 PIK3CD (0.40) CA12CA1CA9XDHGRM2
SCHEMBL3475054 0.82 P2RY14 (0.46) P2RY14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2185452 0.82 P2RX3 (0.42) KLKB1
SCHEMBL2185479 0.80 WDR5 (0.41) KLKB1
SCHEMBL1495528 0.77 GRM2 (0.45) XDHGRM2ALDH1A1
SCHEMBL1495477 0.73 HPGD (0.45) KDM1AHPGD
SCHEMBL1495671 0.69 TDP1 (0.41) XDHGRM2ALDH1A1
SCHEMBL1495652 0.69 XDH (0.42) XDHGRM2
SCHEMBL2760811 0.69 MAPT (0.47) ALDH1A1HPGD

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-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B CA12 3870/4885CA1 1123/4885CA9 3709/4885

“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.