SCHEMBL571622

SCHEMBL571622

CC(=O)Nc1ccc(C(=O)CCl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.51
TP53 P04637 1/20 0.51
HIF1A Q16665 1/20 0.51
HCAR3 P49019 10/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3616520 0.87 KMT2A (0.70) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL28388705 0.86 KMT2A (0.64) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL3620745 0.84 KMT2A (0.65) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL2643864 0.84 KMT2A (0.68) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL29793669 0.84 KMT2A (0.68) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL6506088 0.84 KMT2A (0.62) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL3613079 0.82 HCAR3 (0.72) KMT2AMAPTNPSR1HCAR3
SCHEMBL11707399 0.82 KMT2A (0.62) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL9137225 0.80 KMT2A (0.76) KMT2AMAPTNPSR1ALDH1A1HCAR3
SCHEMBL28126362 0.80 KMT2A (0.57) KMT2AMAPTNPSR1ALDH1A1HCAR3

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
CN-104072486-B As the connection-1H-benzoglyoxaline of hepatitis C virus inhibitors SQUIBB BRISTOL MYERS CO. (US) 2016-04-06 CN disclosed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
CN-103153986-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-05 CN disclosed
CN-104072486-A BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO 2014-10-01 CN disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO disclosed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO disclosed
EP-2046336-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2009-04-15 EP disclosed
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-02-21 US disclosed
WO-2008011045-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-24 WO disclosed
EP-1597249-A1 ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS Pharmacia & Upjohn Company LLC (US) 2005-11-23 EP disclosed
WO-2004074272-A1 ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 WO disclosed
US-20040171650-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-09-02 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 (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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885MAPT 4065/4885NPSR1 4040/4885
US-20040171650-A1 Novel anthelmintic and insecticidal compositions ACHE, AADAC, BCHE KMT2A 1734/4885MAPT 2335/4885NPSR1 4297/4885
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 KMT2A 2333/4885MAPT 4637/4885NPSR1 4450/4885

“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.