SCHEMBL644475

SCHEMBL644475

O=C(NC1CC1)c1cccc(OBOc2cccc(C(=O)NC3CC3)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
PKM P14618 1/20 0.62
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
SMYD3 Q9H7B4 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
GRM5 P41594 3/20 0.50
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MCHR1 Q99705 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KDM1A O60341 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
SCHEMBL4042456 0.94 PKM (0.71) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL2539899 0.83 NPC1 (0.71) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL2468483 0.83 NPC1 (0.71) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL2319509 0.81 RAB9A (0.56) NPC1RAB9ASMN1; SMN2HPGDSMYD3
SCHEMBL28784969 0.81 NPC1 (0.68) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL2472926 0.79 TAS1R3 (0.67) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL10294731 0.79 NPC1 (0.66) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL1667825 0.78 RAB9A (0.73) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL23951315 0.78 SMYD3 (0.85) NPC1PKMRAB9ASMN1; SMN2HPGD
SCHEMBL190231 0.78 HDAC8 (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US 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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885PKM 2209/4885RAB9A 357/4885
US-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 NPC1 4032/4885PKM 461/4885RAB9A 2122/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885PKM 2209/4885RAB9A 357/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 NPC1 3980/4885PKM 484/4885RAB9A 2395/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NPC1 3703/4885PKM 509/4885RAB9A 1914/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885PKM 2209/4885RAB9A 357/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885PKM 2209/4885RAB9A 357/4885

“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.