SCHEMBL3389271

SCHEMBL3389271

c1ccc2[nH]c(-n3cccc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
HTR3A P46098 1/20 0.54
TP53 P04637 3/20 0.53
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.52
PKM P14618 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ABCB11 O95342 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AURKA O14965 1/20 0.51
MAPT P10636 2/20 0.51
TRPC3 Q13507 1/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MASP2 O00187 1/20 0.48

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
SCHEMBL4107024 0.84 BCHE (0.49) BCHEACHEHTR3ATP53RAB9A
SCHEMBL9554794 0.78 BCHE (0.54) BCHEACHEHTR3ATP53RAB9A
SCHEMBL7018102 0.78 BCHE (0.50) BCHEACHEHTR3ATP53RAB9A
SCHEMBL546101 0.78 EGLN1 (0.51) BCHEACHEHTR3ATP53RAB9A
SCHEMBL8190392 0.77 AURKA (0.42) BCHEACHERAB9AALDH1A1AURKA
SCHEMBL28203123 0.77 EGLN1 (0.37) BCHEACHETP53RAB9AKDM4E
SCHEMBL15190212 0.77 AURKA (0.53) BCHEACHEHTR3ATP53RAB9A
SCHEMBL28790670 0.77 BCHE (0.42) BCHEACHEHTR3ATP53RAB9A
SCHEMBL23441765 0.75 KDM4E (0.51) BCHEACHEHTR3ATP53RAB9A
SCHEMBL19520508 0.74 HTR3A (0.57) HTR3ARAB9AKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440538-B Novel pyrroloimidazole derivative and preparation method and application thereof 上海工程技术大学 2021-03-16 CN claimed
CN-110563938-B Polyether copolymer, crosslinkable polyether copolymer composition, electrolyte, and composite 日本瑞翁株式会社 2022-07-22 CN disclosed
CN-112703219-A Polyether compound and gas separation membrane 日本瑞翁株式会社 2021-04-23 CN disclosed
CN-108440538-B Novel pyrroloimidazole derivative and preparation method and application thereof 上海工程技术大学 2021-03-16 CN disclosed
CN-108440538-B Novel pyrroloimidazole derivative and preparation method and application thereof 上海工程技术大学 2021-03-16 CN disclosed
CN-110563938-A Polyether copolymer, crosslinkable polyether copolymer composition, electrolyte, and composite 日本瑞翁株式会社 2019-12-13 CN disclosed
CN-110447135-A Composite polymer electrolyte film ASAHI CHEMICAL IND 2019-11-12 CN disclosed
CN-108840824-A The preparation process of 4- phenyl cycloheptylamine 遵义医学院附属医院 2018-11-20 CN disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
EP-2102191-A1 CRYSTALLINE FORMS OF SOLVATED ILAPRAZOLE IL YANG PHARMACEUTICAL COMPANY, LTD. (KR) 2009-09-23 EP disclosed
WO-2008083341-A1 CRYSTALLINE FORMS OF SOLVATED ILAPRAZOLE IL YANG PHARMACEUTICAL COMPANY, LTD. (KR) 2008-07-10 WO disclosed
WO-2008036211-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE (1H-PYRROL-1-YL)-1H-BENZIMIDAZOLE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 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 (1 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-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ABCB11, ATP6AP1, PAH BCHE 3253/4885ACHE 3789/4885HTR3A 1626/4885

“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.