SCHEMBL16730298

SCHEMBL16730298

Cc1cc(N2CCC=C(N3CCOCC3)C2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 3/20 0.49
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MITF O75030 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL16730289 0.82 LGMN (0.43) MAPTKDM4EL3MBTL1HPGDPKM
SCHEMBL1995413 0.81 MAPT (0.50) MAPTKDM4EHPGDALDH1A1CYP2C9
SCHEMBL29788558 0.80 HPGD (0.73) MAPTKDM4EL3MBTL1HPGDPKM
SCHEMBL443596 0.80 HPGD (0.73) MAPTKDM4EL3MBTL1HPGDPKM
SCHEMBL17576245 0.78 AKR1C3 (0.44) MAPTKDM4EL3MBTL1HPGDPKM
SCHEMBL16730284 0.78 ALDH1A1 (0.48) MAPTKDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL16730291 0.76 ALDH1A1 (0.50) MAPTKDM4EL3MBTL1HPGDALDH1A1
SCHEMBL2945030 0.75 HPGD (0.53) MAPTKDM4EL3MBTL1HPGDPKM
SCHEMBL15731795 0.74 PIK3R1 (0.39) MAPTKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL16730288 0.74 ALDH1A1 (0.53) MAPTKDM4EL3MBTL1HPGDPKM

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 MAPT 4645/4885KDM4E 938/4885L3MBTL1 4779/4885

“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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