SCHEMBL2087384

SCHEMBL2087384

N#CC1(C(=O)O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.34
AKR1C1 Q04828 1/20 0.32
FFAR3 O14843 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL5125174 0.97 ALDH1A1 (0.44) ALDH1A1CYP2C19AKR1C1FFAR3ADORA2A
SCHEMBL2275815 0.97 ALDH1A1 (0.44) ALDH1A1CYP2C19AKR1C1FFAR3ADORA2A
Hydrochloric Acid SCHEMBL10613912 0.95 ALDH1A1 (0.42) ALDH1A1CYP2C19AKR1C1ADORA2AADORA1
SCHEMBL5551595 0.95
Hydrochloric Acid SCHEMBL11818558 0.92 ALDH1A1 (0.33) ALDH1A1FFAR3
SCHEMBL248308 0.89
Hydrochloric Acid SCHEMBL9422815 0.86
SCHEMBL10854389 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20068419 0.78
SCHEMBL1970452 0.78 LMNA (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 WO disclosed
EP-3571198-B1 BICYCLIC AMINES AS JAK KINASE INHIBITORS LEO PHARMA AS (DK) 2023-02-01 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-10851116-B2 Bicyclic amines as novel JAK kinase inhibitors LEO PHARMA A/S (DK) 2020-12-01 US disclosed
CN-110291090-A Bentyl as novel jak kinase inhibitor 利奥制药有限公司 2019-09-27 CN disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
US-4302583-A BY HEATING THE CORRESPONDING DIMERIC ACYL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-11-24 US disclosed
US-4298748-A Preparation of 2-imidazolines BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US disclosed
US-4196233-A Process for coating inorganic substrates with carbides, nitrides and/or carbonitrides CIBA-GEIGY CORPORATION (US) 1980-04-01 US disclosed
US-4028142-A ON IRON, BORON, SILICON ANDOR GROUP 4B TO 6B METALS BY DECOMPOSITION TO PRODUCE DIFFUSION LAYERS CIBA-GEIGY CORPORATION (US) 1977-06-07 US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 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-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 ALDH1A1 2958/4885CYP2C19 3729/4885AKR1C1 3778/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALDH1A1 1109/4885CYP2C19 109/4885AKR1C1 1323/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALDH1A1 1109/4885CYP2C19 109/4885AKR1C1 1323/4885
US-10851116-B2 Bicyclic amines as novel JAK kinase inhibitors JAK1, JAK2, JAK3 ALDH1A1 3009/4885CYP2C19 1056/4885AKR1C1 414/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALDH1A1 1109/4885CYP2C19 109/4885AKR1C1 1323/4885

“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.