SCHEMBL5375674

SCHEMBL5375674

COc1cc([N+](=O)[O-])ccc1N1CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
HTT P42858 4/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL3641664 0.86 NR1H4 (0.48) NR1H4HTTALDH1A1LMNAMAPT
SCHEMBL6140233 0.83 TDP1 (0.64) NR1H4HTTALDH1A1LMNAMAPT
SCHEMBL85584 0.83 TDP1 (0.53) NR1H4HTTALDH1A1LMNASMN1; SMN2
SCHEMBL5415229 0.82 TDP1 (0.52) HTTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3637639 0.81 POLB (0.47) NR1H4HTTALDH1A1LMNAMAPT
SCHEMBL3638156 0.81 HTT (0.50) NR1H4HTTALDH1A1LMNAMAPT
SCHEMBL1928415 0.81 ALDH1A1 (0.64) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14864868 0.81 POLB (0.51) NR1H4HTTALDH1A1LMNASMN1; SMN2
SCHEMBL12952745 0.80 POLB (0.53) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14408303 0.80 POLB (0.53) NR1H4HTTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
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
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH NR1H4 1391/4885HTT 4824/4885ALDH1A1 905/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 NR1H4 2260/4885HTT 2943/4885ALDH1A1 489/4885

“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.