SCHEMBL130390

SCHEMBL130390

[NH]CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 2/20 0.52
HTR2A P28223 1/20 0.52
IDO1 P14902 1/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL132471 0.92 MAOA (0.58) SIGMAR1MAOAMAOBHTR2AALOX15
SCHEMBL130278 0.90 SIGMAR1 (0.58) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL133038 0.90 SIGMAR1 (0.58) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL2357 0.82
SCHEMBL54347 0.82 HTR2A (0.70) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL451456 0.82 MAOA (0.74) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL10831414 0.79 HTR2A (0.67) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL676854 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL6443055 0.79 MAOA (0.70) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL9069707 0.79 HTR2A (0.75) SIGMAR1MAOAMAOBHTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150618-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 WO claimed
CN-112457363-B Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof 华南农业大学 2021-12-24 CN claimed
CN-112457363-A Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof 华南农业大学 2021-03-09 CN claimed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US claimed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 EP claimed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US claimed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP claimed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
EP-1511757-B1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV MEDISCH CENTRUM UTRECHT (NL) 2015-11-04 EP claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US claimed
US-5510380-A TREATING INFLAMMATORY CONDITIONS STERLING WINTHROP, INC. (US) 1996-04-23 US claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
US-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US claimed
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP claimed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP claimed

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-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 SIGMAR1 2478/4885MAOA 814/4885MAOB 632/4885

“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.