SCHEMBL16828640

SCHEMBL16828640

CCOC(=O)c1cc(Br)c(C)nc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA7 P43166 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL2929292 0.87 KDM4E (0.55) KDM4EALDH1A1CA12CA1CA2
SCHEMBL20472390 0.87 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2TSHRALOX15
SCHEMBL29786432 0.87 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2TSHRALOX15
SCHEMBL16853719 0.84 CA12 (0.43) KDM4EALDH1A1CA12CA1CA2
SCHEMBL21001745 0.83 GAA (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL27904206 0.83 KDM4E (0.56) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10004132 0.83 MAOB (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL13285824 0.81 KDM4E (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL31128387 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2TSHRALOX15
SCHEMBL4627413 0.79 TSHR (0.57) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
EP-3083602-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2016-10-26 — — EP disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 — — 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 KDM4E 1532/4885ALDH1A1 2460/4885CA12 4806/4885

“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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