SCHEMBL6023486

SCHEMBL6023486

CNc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
CA1 P00915 1/20 0.56
MMP2 P08253 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 1/20 0.53
RECQL P46063 2/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.50
MCL1 Q07820 1/20 0.49
HCRTR1 O43613 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 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
Hydrochloric Acid SCHEMBL27844722 0.98 LMNA (0.55) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL27039902 0.82 ALDH1A1 (0.55) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7380541 0.81 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL31598449 0.81 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2137755 0.80 LMNA (0.55) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL584346 0.80 ALDH1A1 (0.73) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL461513 0.80 ALDH1A1 (0.61) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL11835914 0.79 ALDH1A1 (0.59) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL10534498 0.79 HTT (0.71) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6754385 0.79 LMNA (0.54) LMNAMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2020146779-A1 mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 WO disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
CN-105622426-A Preparation method of 4-fluoro-N-methyl-3-nitroaniline ZHEJIANG DINGLONG TECH CO LTD 2016-06-01 CN disclosed
CN-105622426-A Preparation method of 4-fluoro-N-methyl-3-nitroaniline ZHEJIANG DINGLONG TECH CO LTD 2016-06-01 CN disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
WO-2014024119-A1 HETEROCYCLIC AMIDES AS ITK INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-02-13 WO disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 LMNA 2120/4885MEN1 2645/4885KMT2A 1385/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 LMNA 1900/4885MEN1 3142/4885KMT2A 1921/4885
US-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 LMNA 2269/4885MEN1 4520/4885KMT2A 2504/4885

“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.