SCHEMBL16730282

SCHEMBL16730282

Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCCCl

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 1/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL29106604 0.96 MAPT (0.66) MAPTALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL85553 0.87 MAPT (0.65) MAPTALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL17980007 0.86 NPC1 (0.69) MAPTALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL30168150 0.85 ALDH1A1 (0.67) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL10674588 0.85 ALDH1A1 (0.67) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL16730430 0.84 MAPT (0.72) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11456402 0.82 MAPT (0.62) MAPTALDH1A1KMT2ANPC1LMNA
SCHEMBL4467318 0.81 MAPT (0.55) MAPTALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL4472308 0.81 MAPT (0.56) MAPTALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL14192526 0.81 ALDH1A1 (0.73) MAPTALDH1A1L3MBTL1KMT2ANPC1

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 4 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
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
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 4645/4885ALDH1A1 905/4885L3MBTL1 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.