SCHEMBL5873306

SCHEMBL5873306

Oc1ccccc1C=Nn1cccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CA12 O43570 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 5/20 0.52
KDM4E B2RXH2 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
CTRC Q99895 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 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
SCHEMBL14276077 1.00 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL12771002 0.81 POLB (0.40) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3669947 0.81 AMY1A (0.65) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3669949 0.81 AMY1A (0.65) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL14276085 0.74 GAA (0.48) MEN1KMT2APOLBCA12CA2
SCHEMBL9465026 0.74 CA12 (0.59) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL29735007 0.73 RAB9A (0.67) MEN1KMT2APOLBCYP3A4CA12
SCHEMBL29368986 0.73 RAB9A (0.67) MEN1KMT2APOLBCYP3A4CA12
SCHEMBL5605340 0.73 RAB9A (0.67) MEN1KMT2APOLBCYP3A4CA12
SCHEMBL8025627 0.73 RAB9A (0.67) MEN1KMT2APOLBCYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056996-B2 Productivity catalysts and microstructure control E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-06 US disclosed
US-20040127658-A1 Productivity catalysts and microstructure control EASTMAN CHEMICAL COMPANY 2004-07-01 US disclosed
US-20040077809-A1 Productivity catalysts and microstructure control EASTMAN CHEMICAL COMPANY 2004-04-22 US disclosed
US-20030225228-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-04 US disclosed
EP-1351997-A2 IMPROVED PRODUCTIVITY CATALYSTS AND MICROSTRUCTURE CONTROL EASTMAN CHEMICAL COMPANY (US) 2003-10-15 EP disclosed
US-6605677-B2 Group 8-10 transition metal based supported catalyst where the support is treated with a pore-filling agent; improved the catalyst productivity in the presence of hydrogen EASTMAN CHEMICAL COMPANY 2003-08-12 US disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 US disclosed
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 EP disclosed
US-20020091210-A1 Olefin polymerization processes using supported catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2002-07-11 US disclosed
US-20020065192-A1 Productivity catalysts and microstructure control MACKENZIE PETER BORDEN (US) 2002-05-30 US disclosed
WO-2002036641-A2 IMPROVED PRODUCTIVITY CATALYSTS AND MICROSTRUCTURE CONTROL EASTMAN CHEMICAL COMPANY (US) 2002-05-10 WO disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 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-20040077809-A1 Productivity catalysts and microstructure control MYB, ST3GAL3, FASN CYP1A2 932/4885CYP2C9 3754/4885CYP2C19 3263/4885

“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.