SCHEMBL7872332

SCHEMBL7872332

N#CC(N)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.47
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 8/20 0.41
CYP3A4 P08684 6/20 0.41
KCNH2 Q12809 5/20 0.41
CYP2D6 P10635 5/20 0.41
AOC3 Q16853 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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 SCHEMBL15775392 0.98 UGT2B7 (0.46) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL9005796 0.80 UGT2B7 (0.47) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL10402565 0.80 UGT2B7 (0.47) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11323036 0.79 UGT2B7 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL10821283 0.78 UGT2B7 (0.46) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12569123 0.76 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL10359867 0.76 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL3038889 0.76 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL15614046 0.76 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12568798 0.76 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP claimed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
WO-2016044777-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
WO-2016044777-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
CN-1111162-C Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2003-06-11 CN disclosed
US-6307068-B1 TREATING OR IN PREVENTING CANCER. ADIR ET COMPAGNIE (FR) 2001-10-23 US disclosed
CN-1305482-A Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2001-07-25 CN disclosed
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 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 (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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 UGT2B7 37/4885SLC6A2 4413/4885SLC6A4 3758/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 UGT2B7 682/4885SLC6A2 1320/4885SLC6A4 1846/4885

“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.