SCHEMBL2012623

SCHEMBL2012623

[Li]c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 4/20 0.54
PSMB8 P28062 1/20 0.50
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47
HCRTR1 O43613 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL824375 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL29531707 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL6445389 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL129661 0.71 MAPT (0.59) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL6445384 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL10045305 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL9542349 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL474946 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL430870 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL22190326 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008157740-A2 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
US-6586464-B2 Artemisinin analogs having antimalarial, antiproliferative, and antitumor activities and chemoselective methods of making the same JOHNS HOPKINS UNIVERSITY 2003-07-01 US disclosed
EP-1150984-A4 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME HAUSER INC (US) 2002-06-19 EP disclosed
US-20020055528-A1 Artemisinin analogs having antimalarial, antiproliferative, and antitumor activities and chemoselective methods of making the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-09 US disclosed
EP-1150984-A1 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME Hauser, Inc. (US) 2001-11-07 EP disclosed
US-6297272-B1 Artemisinin analogs having antimalarial antiproliferative and antitumor activities and chemoselective methods of making the same HAUSER, INC. 2001-10-02 US disclosed
WO-2000042046-A9 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME HAUSER INC (US) 2001-09-20 WO disclosed
WO-2000042046-A1 ARTEMISININ ANALOGS HAVING ANTIMALARIAL, ANTIPROLIFERATIVE, AND ANTITUMOR ACTIVITIES AND CHEMOSELECTIVE METHODS OF MAKING THE SAME HAUSER, INC. (US) 2000-07-20 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 (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-20020055528-A1 Artemisinin analogs having antimalarial, antiproliferative, and antitumor activities and chemoselective methods of making the same HCCS, DHFR, DHPS NPC1 1315/4885RAB9A 2350/4885MAPT 4766/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 NPC1 2681/4885RAB9A 3562/4885MAPT 997/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 NPC1 1470/4885RAB9A 1887/4885MAPT 3076/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT NPC1 2525/4885RAB9A 1688/4885MAPT 3753/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 NPC1 2508/4885RAB9A 2477/4885MAPT 2737/4885

“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.