SCHEMBL775954

SCHEMBL775954

O=[N+]([O-])c1cccc(NBr)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
POLB P06746 2/20 0.65
MAPT P10636 2/20 0.65
DDX3X O00571 1/20 0.65
HTT P42858 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
TSHR P16473 3/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.61
BLM P54132 1/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 5/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
MMP2 P08253 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ACHE P22303 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL9122195 0.86 KMT2A (0.59) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL394734 0.85 KMT2A (0.67) KMT2AMEN1POLBMAPTDDX3X
Hydrochloric Acid SCHEMBL9594727 0.85 KMT2A (0.57) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL11775765 0.82 SMN1; SMN2 (0.60) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL356240 0.82 KMT2A (0.62) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL4271088 0.82 KMT2A (0.62) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL9382265 0.82 KMT2A (0.62) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL1143356 0.82 KMT2A (0.62) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL732435 0.82 SMN1; SMN2 (0.64) KMT2AMEN1POLBMAPTDDX3X
SCHEMBL27866569 0.82 KMT2A (0.62) KMT2AMEN1POLBMAPTDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646234-A 2-bromo-5-nitrophenylamine and preparation method thereof 叶芳 2016-06-08 CN claimed
CN-110483366-A Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes INST MATERIA MEDICA CAMS 2019-11-22 CN disclosed
CN-110325532-A Aryl hydrocarbon receptor (AhR) adjusts immunomodulator compounds 菲尼克斯药品股份公司 2019-10-11 CN disclosed
CN-110256258-A A method of photocatalytic synthesis is at more bromoaniline compounds in water phase 福建医科大学 2019-09-20 CN disclosed
CN-110195237-A A method of using bromide as bromating agent, the electro-catalysis in water phase prepares more bromoaniline compounds 福建医科大学 2019-09-03 CN disclosed
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN disclosed
CN-110003171-A The small molecule invertibity BTK inhibitor for treating rheumatoid arthritis 清华大学 2019-07-12 CN disclosed
CN-106132962-B Macrocyclic compounds having an aromatic P2' group as factor XIA inhibitors 百时美施贵宝公司 2018-09-07 CN disclosed
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 CN disclosed
CN-108250199-A Dihydropyridone P1 is as factor XIA inhibitors 百时美施贵宝公司 2018-07-06 CN disclosed
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP disclosed
US-20120071488-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT RATIOPHARM GMBH (DE) 2012-03-22 US disclosed
CN-102170882-A Compositions and methods of treating amyloid disease TREVENTIS CORP 2011-08-31 CN disclosed
WO-2011076411-A1 ORODISPERSIBLE TABLET CONTAINED COMPACTED SILDENAFIL BASE RATIOPHARM GMBH (DE) 2011-06-30 WO disclosed
WO-2011072839-A1 ORODISPERSIBLE TABLET, CONTAINING DAPOXETINE RATIOPHARM GMBH (DE) 2011-06-23 WO disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 CN disclosed
CN-101935301-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2011-01-05 CN disclosed
CN-101891680-A The adjusting control agent of ATP- combination cassette transporters VERTEX PHARMA 2010-11-24 CN disclosed
CN-1021010-C SUBSTITUTED THIAZOLES COMPOSITION AND THEIR USE AS FUNGICIDES MONSANTO CO (US) 1993-06-02 CN 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-20120071488-A1 MELTING TABLET CONTAINING A SILDENAFIL SALT PDE9A, SORD, TAS2R39 KMT2A 2231/4885MEN1 1511/4885POLB 2919/4885

“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.