SCHEMBL938005

SCHEMBL938005

O=CCOc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL31124123 1.00 NPC1 (0.42) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL3260151 0.79 CHRNB2 (0.44) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL3476978 0.79 NPC1 (0.42) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL5728923 0.79 HTR1A (0.39) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL9008372 0.78 KDM4E (0.33) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL4728794 0.77 KDM4E (0.52) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL18228872 0.76 NPC1 (0.40) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL10684885 0.76 NPC1 (0.40) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL11209912 0.76 NPC1 (0.40) NPC1ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL29232611 0.76 NPC1 (0.40) NPC1ALDH1A1CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 EP disclosed
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
EP-1660464-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG Life Sciences Ltd. (KR) 2006-05-31 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 WO disclosed
WO-2005021516-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD. (KR) 2005-03-10 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 (4 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NPC1 108/4885ALDH1A1 462/4885CYP2D6 128/4885
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 NPC1 770/4885ALDH1A1 1316/4885CYP2D6 66/4885
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NPC1 108/4885ALDH1A1 462/4885CYP2D6 128/4885
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 NPC1 1937/4885ALDH1A1 3281/4885CYP2D6 2990/4885

“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.