SCHEMBL5213709

SCHEMBL5213709

O=[N+]([O-])c1ccc2[nH]c(C(F)F)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 7/20 0.46
NOS1 P29475 2/20 0.45
MAOB P27338 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5213718 0.88 MEN1 (0.74) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL271676 0.85 MEN1 (0.57) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL6519411 0.82 MEN1 (0.62) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL5104056 0.82 MEN1 (0.55) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL10752982 0.82 MEN1 (0.55) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL6522909 0.82 MEN1 (0.62) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL7035622 0.80 MEN1 (0.52) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL27567547 0.80 ALDH1A1 (0.56) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL28378483 0.79 MEN1 (0.51) POLBMEN1KMT2AUSP2ALDH1A1
SCHEMBL7210029 0.78 ALDH1A1 (0.59) POLBMEN1KMT2AUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100344614-C Difluoro methyl amido benzimadazoles, and preparation method UNIV SHANGHAI (CN) 2007-10-24 CN claimed
CN-1760184-A Difluoro methyl amido benzimadazoles, and preparation method UNIV SHANGHAI (CN) 2006-04-19 CN claimed
CN-100415721-C Method for preparing nitrobenzimidazole of containing fluorin UNIV SHANGHAI (CN) 2008-09-03 CN disclosed
US-7307077-B2 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-11 US disclosed
CN-100344614-C Difluoro methyl amido benzimadazoles, and preparation method UNIV SHANGHAI (CN) 2007-10-24 CN disclosed
CN-101016276-A 5-nitro-2-difluoromethylbenzimidazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-15 CN disclosed
CN-1310907-C Heterocyclic compound and antitumour agent containing the same as active ingredient ZENYAKU KOGYO KK (JP) 2007-04-18 CN disclosed
EP-1389617-B1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2007-01-03 EP disclosed
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-02 US disclosed
US-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US disclosed
CN-1760185-A Method for preparing nitrobenzimidazole of containing fluorin UNIV SHANGHAI (CN) 2006-04-19 CN disclosed
CN-1760185-A Method for preparing nitrobenzimidazole of containing fluorin UNIV SHANGHAI (CN) 2006-04-19 CN disclosed
CN-1760184-A Difluoro methyl amido benzimadazoles, and preparation method UNIV SHANGHAI (CN) 2006-04-19 CN disclosed
CN-1538967-A Heterocyclic compound and antitumour agent containing the same as active ingredient ������ҩ��ҵ��ʽ���� 2004-10-20 CN disclosed
US-20040116421-A1 Heterocyclic compound and antitumor agent containing the same as active ingredient OHARA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
EP-1389617-A1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-18 EP 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-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 POLB 4594/4885MEN1 1642/4885KMT2A 3803/4885

“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.