SCHEMBL5765261

SCHEMBL5765261

Cc1ccc([N+](=O)[O-])cc1N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
ALDH1A1 P00352 10/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PAX8 Q06710 2/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2D6 P10635 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL427403 0.87 SIRT6 (0.59) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5205570 0.86 ADRB1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL328460 0.86 ALDH1A1 (0.65) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5827767 0.86 SIRT6 (0.58) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL242441 0.85 GAA (0.69) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6221391 0.85 GAA (0.69) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL3252780 0.84 ADRB1 (0.56) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7049102 0.82 GAA (0.60) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL11589952 0.80 GAA (0.62) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL328238 0.80 SMN1; SMN2 (0.47) GAAALDH1A1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF GAA 1389/4885ALDH1A1 1216/4885LMNA 3011/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF GAA 1389/4885ALDH1A1 1216/4885LMNA 3011/4885

“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.