SCHEMBL1260156

SCHEMBL1260156

O=[N+]([O-])c1ccccc1-c1c[nH]nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
MGAM O43451 2/20 0.45
GAA P10253 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.41
GUSB P08236 1/20 0.41
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL15690385 0.82 TDP1 (0.41) MAOBALDH1A1TDP1MGAMGAA
SCHEMBL2197897 0.78 ALDH1A1 (0.38) ALDH1A1TDP1GAAL3MBTL1MEN1
SCHEMBL21460987 0.77 NPC1 (0.38) MAOBALDH1A1TDP1MGAMGAA
SCHEMBL27928747 0.75 CYP3A4 (0.41) ALDH1A1TDP1GAAMEN1KMT2A
SCHEMBL29337140 0.75 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL30987815 0.75 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL31399836 0.75 ALDH1A1 (0.42) ALDH1A1TDP1GAAL3MBTL1MEN1
SCHEMBL2062065 0.75 ALDH1A1 (0.50) MAOBALDH1A1TDP1MGAMGAA
SCHEMBL5766529 0.75 ALDH1A1 (0.50) MAOBALDH1A1TDP1MGAMGAA
SCHEMBL31174723 0.75 ALDH1A1 (0.50) MAOBALDH1A1TDP1MGAMGAA

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
CN-105440020-A 1,2,3-triazole compounds with antitumor activity and preparation method for 1,2,3-triazole compounds UNIV CHANGZHOU 2016-03-30 CN disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
CN-104356177-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-02-18 CN disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
CN-102471911-B Process for the electrolytic copper plating of zinc diecasting having a reduced tendency to blister formation UMICORE GALVANOTECHNIK GMBH (DE) 2014-10-15 CN disclosed
CN-1037843-C Process for preparing indole derivatives containing 1,2, 4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1998-03-25 CN disclosed
CN-1166486-A Process for preparing indole derivatives containing 1,2,4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1997-12-03 CN disclosed
EP-0651748-B1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME (GB) 1997-10-08 EP disclosed
EP-0679647-B1 Novel antifungal triazole compound and production and use thereof NIHON NOHYAKU CO LTD (JP) 1997-06-04 EP disclosed
US-5629332-A FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1997-05-13 US disclosed
US-5567819-A Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent MERCK, SHARP & DOHME, LTD. (GB) 1996-10-22 US disclosed
EP-0679647-A1 Novel antifungal triazole compound and production and use thereof NIHON NOHYAKU CO., LTD. (JP) 1995-11-02 EP disclosed
EP-0651748-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT. MERCK SHARP & DOHME (GB) 1995-05-10 EP disclosed
CN-1085555-A Process for preparing indole derivatives containing 1, 2, 4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1994-04-20 CN disclosed
WO-1994002476-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 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-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAOB 1022/4885ALDH1A1 2560/4885TDP1 1744/4885

“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.