SCHEMBL18260830

SCHEMBL18260830

O=C(O)NCCOc1ncc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18261063 0.83 MTNR1A (0.37) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL25357694 0.79 KDM4E (0.45) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL18289991 0.79 CA12 (0.49) HTTNPSR1
SCHEMBL18886356 0.76 SMN1; SMN2 (0.40) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL18886473 0.76 SMN1; SMN2 (0.40) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL16585292 0.75 NPC1 (0.42) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL2886185 0.75 RAB9A (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24042179 0.74 CHRNB2 (0.43) EDNRBEDNRA
SCHEMBL23804030 0.74 DRD4 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MTNR1A
SCHEMBL18990622 0.74 HDAC3 (0.41) NPC1RAB9AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
WO-2022053541-A1 COMPOUNDS FOR USE AS APPETITE SUPPRESSANT ERACAL THERAPEUTICS LTD. (CH) 2022-03-17 WO disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
EP-3302471-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE Eisai R&D Management Co., Ltd. (JP) 2018-04-11 EP disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 US disclosed
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
WO-2016196346-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-01 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 (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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 NPC1 421/4885RAB9A 1518/4885LMNA 3864/4885
US-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 NPC1 907/4885RAB9A 1599/4885LMNA 2553/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 NPC1 907/4885RAB9A 1599/4885LMNA 2553/4885
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 NPC1 421/4885RAB9A 1518/4885LMNA 3864/4885
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 NPC1 421/4885RAB9A 1518/4885LMNA 3864/4885

“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.