SCHEMBL2366256

SCHEMBL2366256

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TSHR P16473 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ GBA1 P04062 2/20 0.43
▸ HTT P42858 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ SMO Q99835 1/20 0.42
▸ CFTR P13569 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19446822 0.90 ALDH1A1 (0.56) ALDH1A1GBA1HTTPOLBSMO
SCHEMBL2365922 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHTTMAPK1POLB
SCHEMBL2366540 0.81 ABL1 (0.44) ALDH1A1TSHRGBA1MAPK1KDM4E
SCHEMBL14686547 0.80 MEN1 (0.44) ALDH1A1TSHRSMN1; SMN2HTTMAPK1
SCHEMBL14686883 0.79 MEN1 (0.64) ALDH1A1TSHRSMN1; SMN2HTTKDM4E
SCHEMBL14687647 0.79 MEN1 (0.44) ALDH1A1TSHRSMN1; SMN2HTTMAPK1
SCHEMBL27848280 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GBA1MAPK1KDM4E
SCHEMBL14687293 0.79 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2GBA1HTT
SCHEMBL2365769 0.79 KMT2A (0.43) ALDH1A1TSHRSMN1; SMN2HTTKDM4E
SCHEMBL14687200 0.79 MEN1 (0.43) ALDH1A1TSHRSMN1; SMN2HTTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 — — EP 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
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 — — EP 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
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — US disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 — — EP disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 — — EP disclosed
WO-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 — — 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 (2 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 594/4885TSHR 2563/4885SMN1; SMN2 2884/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 ALDH1A1 598/4885TSHR 3137/4885SMN1; SMN2 3212/4885

“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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