SCHEMBL3577314

SCHEMBL3577314

OCc1cccc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALPG P10696 1/20 0.43
HTT P42858 1/20 0.43
NHERF1 O14745 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.39
FADS1 O60427 1/20 0.39
ACP3 P15309 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL29792638 0.85 CYP2A6 (0.43) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3571906 0.85 CYP2A6 (0.43) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3276118 0.82 CYP2A6 (0.45) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6882281 0.82 CYP2A6 (0.38) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL26523523 0.81 CYP2A6 (0.43) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL15345459 0.81 PNMT (0.45) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL15351532 0.81 CYP2A6 (0.43) CYP2A6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3045619 0.78 MAPK1 (0.45) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL30504155 0.78 MAPK1 (0.45) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL28941612 0.78 CYP2A6 (0.41) CYP2A6CYP1A2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
CN-101687913-B Kallikrein 7 modulators NOVARTIS AG 2013-09-18 CN disclosed
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
EP-2170939-A1 KALLIKREIN 7 MODULATORS Novartis Ag (CH) 2010-04-07 EP disclosed
CN-101687913-A kallikrein 7 modulators NOVARTIS AG 2010-03-31 CN disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-5122442-A Water soluble binder; photosensitive compound HOECHST CELANESE CORPORATION (US) 1992-06-16 US disclosed
US-4436804-A Light-sensitive polymeric diazonium condensates and reproduction compositions and materials therewith AMERICAN HOECHST CORPORATION (US) 1984-03-13 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 (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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 CYP2A6 2666/4885CYP1A2 3817/4885CYP2C19 3214/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CYP2A6 2666/4885CYP1A2 3817/4885CYP2C19 3214/4885

“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.