SCHEMBL16730432

SCHEMBL16730432

COc1cc([N+](=O)[O-])ccc1N1CCC=C(N2CCOCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ SLC6A9 P48067 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL16730284 0.87 ALDH1A1 (0.48) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL16730431 0.83 MAPT (0.44) ALDH1A1SMN1; SMN2MAPT
SCHEMBL29788533 0.83 SLC6A5 (0.64) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL2062084 0.83 SLC6A5 (0.64) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL12528187 0.81 SLC6A5 (0.63) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL1995413 0.79 MAPT (0.50) MAPK1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL16730433 0.76 ALDH1A1 (0.41) HTTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL29833031 0.75 SLC6A5 (0.61) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL520263 0.75 SLC6A5 (0.61) SLC6A5HTTMAPK1PAX8RAB9A
SCHEMBL1513961 0.73 HTT (0.44) HTTMAPK1L3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH SLC6A5 4339/4885HTT 4824/4885MAPK1 1396/4885

“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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