SCHEMBL383919

SCHEMBL383919

CC(C)(C)C(=O)Nc1ccccc1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 4/20 0.45
LMNA P02545 4/20 0.45
ALOX12 P18054 2/20 0.45
TSHR P16473 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PDK1 Q15118 3/20 0.43
PDK2 Q15119 3/20 0.43
PDK3 Q15120 3/20 0.43
PDK4 Q16654 3/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29469256 1.00 CETP (0.59) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL3787214 0.84 CETP (0.50) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL5706504 0.84 CETP (0.71) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL6517475 0.84 JAK2 (0.49) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL29955558 0.84 JAK2 (0.49) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL3788778 0.81 CETP (0.54) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL2087952 0.80 CETP (0.67) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL2952211 0.80 CETP (0.49) CETPL3MBTL1KDM4ELMNAALOX12
SCHEMBL56441 0.79 GAA (0.50) KDM4ELMNARAB9AALDH1A1MAPT
SCHEMBL3149525 0.79 RAB9A (0.45) KDM4ERAB9AALDH1A1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20150157783-A1 METHOD TO SELECTIVELY BIND AND EXTRACT PHOSPHATE NATIONAL SCIENCE FOUNDATION 2015-06-11 US disclosed
US-20150157783-A1 METHOD TO SELECTIVELY BIND AND EXTRACT PHOSPHATE NATIONAL SCIENCE FOUNDATION 2015-06-11 US disclosed
US-20150157783-A1 METHOD TO SELECTIVELY BIND AND EXTRACT PHOSPHATE NATIONAL SCIENCE FOUNDATION 2015-06-11 US disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO disclosed
EP-1054869-B1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AG (DE) 2004-09-22 EP disclosed
US-20040063739-A1 N8, n13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-04-01 US disclosed
EP-1330456-A2 N8,N13 -DISUBSTITUTED QUINO 4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2003-07-30 EP disclosed
WO-2002030932-A2 N8,N13-DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-04-18 WO disclosed
EP-1054869-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-1999041240-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-19 WO disclosed
EP-0619804-B1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES DU PONT (US) 1996-05-22 EP disclosed
EP-0619804-A1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES. DU PONT (US) 1994-10-19 EP disclosed
WO-1993011097-A1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-10 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-20040063739-A1 N8, n13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents TERT, MKI67, NQO2 CETP 3226/4885L3MBTL1 1663/4885KDM4E 322/4885
US-20150157783-A1 METHOD TO SELECTIVELY BIND AND EXTRACT PHOSPHATE PPA1, SLC34A3, SLC34A2 CETP 1797/4885L3MBTL1 4652/4885KDM4E 751/4885

“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.