SCHEMBL14699262

SCHEMBL14699262

O=[N+]([O-])c1cnn(CCBr)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL14699278 0.90 ALDH1A1 (0.56) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL22261030 0.87 ALDH1A1 (0.53) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL27922445 0.84 ALDH1A1 (0.52) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL1703117 0.82 ALDH1A1 (0.55) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL10255730 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL2523082 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ARXFP1L3MBTL1HTT
Hydrochloric Acid SCHEMBL16423527 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL16022085 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL15972089 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL16943104 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ARXFP1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 ALDH1A1 1721/4885KMT2A 3880/4885RXFP1 99/4885

“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.