SCHEMBL594184

SCHEMBL594184

O=C(O)c1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.61
PKM P14618 1/20 0.51
PIK3CA P42336 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PIK3CB P42338 3/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.43
HIF1A Q16665 1/20 0.42
TSHR P16473 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
SCHEMBL242170 0.86 KMO (0.56) KMOPKMPIK3CAMAPTCYP1A2
SCHEMBL1271891 0.84 KMO (0.61) KMOPKMPIK3CAPOLBKMT2A
SCHEMBL856718 0.83 MAPT (0.61) PIK3CAMAPTCYP1A2CYP2D6PIK3CB
SCHEMBL593003 0.82 PIK3CB (0.48) KMOPIK3CAMAPTCYP1A2CYP2D6
SCHEMBL425720 0.81 KMO (0.57) KMOPKMPIK3CAPIK3CBPOLB
SCHEMBL16034986 0.80 KMT2A (0.49) KMOMAPTCYP1A2CYP2D6PIK3CB
SCHEMBL5453917 0.80 PIK3CB (0.58) KMOPKMPIK3CAMAPTPIK3CB
SCHEMBL3114998 0.80 KMO (0.56) KMOPKMPIK3CAPOLBKMT2A
SCHEMBL20797898 0.79 ATR (0.44) KMOPIK3CA
SCHEMBL20797900 0.79 ATR (0.44) KMOPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 WO disclosed
CN-1146542-C Benzamide derivatives and their use as cytokine inhibitors 2004-04-21 CN disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 CN disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 KMO 1701/4885PKM 878/4885PIK3CA 3537/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 KMO 3242/4885PKM 1546/4885PIK3CA 2806/4885

“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.