SCHEMBL420519

SCHEMBL420519

O=[N+]([O-])c1ccc(Br)cc1NCCO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 2/20 0.49
KMT2A Q03164 1/20 0.47
KAT2B Q92831 1/20 0.46
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSTM2 P28161 1/20 0.42
LMNA P02545 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
SCHEMBL1515031 0.91 ALDH1A1 (0.57) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL29612519 0.91 ALDH1A1 (0.57) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL29670495 0.88 ALDH1A1 (0.62) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL420259 0.88 ALDH1A1 (0.62) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL17378355 0.84 KAT2B (0.49) MAPTALDH1A1PKMKAT2BLMNA
SCHEMBL1842548 0.84 HCAR3 (0.52) MAPTALDH1A1RAB9APKMKAT2B
SCHEMBL9652783 0.83 RAB9A (0.56) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL2467753 0.83 ALDH1A1 (0.56) MAPTALDH1A1TSHRTDP1RAB9A
SCHEMBL2144381 0.82 KAT2B (0.48) MAPTALDH1A1TDP1RAB9APKM
SCHEMBL2144387 0.82 KAT2B (0.48) MAPTALDH1A1TDP1RAB9APKM

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 US disclosed
CN-119604506-A 4-Alkoxypyrrolo [2,1-f ] [1,2,4] triazines, preparation and use thereof 拜斯丽治疗有限公司 2025-03-11 CN disclosed
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2024-12-26 US disclosed
EP-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2024-05-14 US disclosed
US-20240002391-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2024-01-04 US disclosed
WO-2023250156-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2023-04-20 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US 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 (7 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-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 MAPT 2018/4885ALDH1A1 1795/4885TSHR 3383/4885
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B MAPT 36/4885ALDH1A1 2359/4885TSHR 1577/4885
US-20240002391-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B MAPT 402/4885ALDH1A1 1941/4885TSHR 879/4885
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885ALDH1A1 2598/4885TSHR 375/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885ALDH1A1 2598/4885TSHR 375/4885
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 MAPT 2018/4885ALDH1A1 1795/4885TSHR 3383/4885
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 MAPT 2018/4885ALDH1A1 1795/4885TSHR 3383/4885

“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.