SCHEMBL3536679

SCHEMBL3536679

O=C(NCCN1CCOCC1)c1ccc2cc[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ MAPT P10636 1/20 0.65
▸ CD274 Q9NZQ7 5/20 0.64
▸ POLB P06746 1/20 0.63
▸ PARP1 P09874 2/20 0.61
▸ HTR1A P08908 1/20 0.60
▸ MAOA P21397 1/20 0.60
▸ MAOB P27338 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ HPGD P15428 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ CYP2C9 P11712 1/20 0.56

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
SCHEMBL14006091 0.92 ALDH1A1 (0.61) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL14006088 0.84 HDAC1 (0.58) CYP2C19CYP1A2CYP2D6ALDH1A1CD274
SCHEMBL8480165 0.82 ALDH1A1 (0.66) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL14385089 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL29626496 0.81 HDAC1 (0.56) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL29037358 0.81 HDAC1 (0.56) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL6015767 0.81 POLB (0.60) CYP2C19CYP1A2CYP2D6ALDH1A1CD274
SCHEMBL30265188 0.81 POLB (0.60) CYP2C19CYP1A2CYP2D6ALDH1A1CD274
SCHEMBL18845433 0.80 CYP2C19 (0.78) CYP2C19CYP1A2CYP2D6ALDH1A1CD274
SCHEMBL8479110 0.79 ALDH1A1 (0.62) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 — — US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 — — US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 — — US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 — — US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 — — EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 — — WO disclosed
EP-0850220-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1998-07-01 — — EP 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 (5 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CYP2C19 971/4885CYP1A2 2176/4885CYP2D6 1798/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA CYP2C19 1356/4885CYP1A2 1147/4885CYP2D6 1489/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA CYP2C19 1356/4885CYP1A2 1147/4885CYP2D6 1489/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA CYP2C19 1356/4885CYP1A2 1147/4885CYP2D6 1489/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CYP2C19 16/4885CYP1A2 111/4885CYP2D6 58/4885

“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.

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