SCHEMBL2154763

SCHEMBL2154763

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cnccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.62
CTDSP1 Q9GZU7 2/20 0.62
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
LMNA P02545 2/20 0.55
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KCNK2 O95069 1/20 0.51
KCNK10 P57789 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
NPC1 O15118 2/20 0.49

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
SCHEMBL2154604 0.89 MAPT (0.61) MAPTALDH1A1POLBCTDSP1LMNA
SCHEMBL12768313 0.84 MAPT (0.63) MAPTALDH1A1POLBCTDSP1LMNA
SCHEMBL26758049 0.82 ALDH1A1 (0.53) MAPTALDH1A1POLBCTDSP1LMNA
SCHEMBL6834011 0.77 MEN1 (0.51) MAPTALDH1A1POLBCTDSP1KMT2A
SCHEMBL11870435 0.76 MAPT (0.71) MAPTALDH1A1AKR1C4AKR1C3AKR1C2
Niclosamide SCHEMBL7778390 0.75 KMT2A (0.71) MAPTALDH1A1POLBCTDSP1LMNA
SCHEMBL7846339 0.74 MAPT (0.68) MAPTALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL3279807 0.74 MAPT (0.72) MAPTALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL1531297 0.73 MAPT (1.00) MAPTALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL23926496 0.73 NPC1 (0.65) MAPTALDH1A1POLBCTDSP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
CN-102883723-B Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-16 CN disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
CN-102883723-A Therapeutic compounds and related methods of use GALENEA CORP 2013-01-16 CN disclosed
EP-2521549-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011082337-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORP. (US) 2011-07-07 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 (3 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885ALDH1A1 2216/4885POLB 4315/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885ALDH1A1 2732/4885POLB 4269/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885ALDH1A1 2216/4885POLB 4315/4885

“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.