SCHEMBL14687293

SCHEMBL14687293

Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 3/20 0.40
▸ GBA1 P04062 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ C1S P09871 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL14686581 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14687169 0.90 KDM4E (0.43) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14702944 0.87 POLB (0.40) ALDH1A1KDM4EPOLBHPGDCASP1
Hydrochloric Acid SCHEMBL14686635 0.86 POLB (0.39) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14686601 0.86 POLB (0.41) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14687232 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14687104 0.85 GBA1 (0.39) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14686517 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14686542 0.84 POLB (0.38) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL14687096 0.84 LMNA (0.42) ALDH1A1KDM4EPOLBHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 — — EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 — — US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 — — US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 — — 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 ALDH1A1 594/4885KDM4E 829/4885POLB 3005/4885

“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.

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