Clobenpropit

Clobenpropit

SCHEMBL8312286

N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.36
IDO1 P14902 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HRH2 P25021 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
Clobenpropit SCHEMBL15130115 0.99 HRH4 (0.42) HRH4HRH3KMT2APKMMEN1
Clobenprobit SCHEMBL29613706 0.96 HRH4 (0.38) HRH4HRH3KMT2APKMMEN1
SCHEMBL16840342 0.88 SMN1; SMN2 (0.38) HRH4HRH3KMT2ATP53MAPT
SCHEMBL11659295 0.83 IDO1 (0.38) HRH4HRH3KMT2AMEN1IDO1
SCHEMBL8624151 0.80 NOS1 (0.39) KMT2AMEN1IDO1POLBMAPT
Iodophenpropit SCHEMBL13039517 0.79 HRH4 (0.35) HRH4HRH3KMT2AMEN1TP53
Iodophenpropit SCHEMBL30938563 0.78 HRH4 (0.36) HRH4HRH3KMT2AMEN1TP53
SCHEMBL9029336 0.77 POLB (0.40) KMT2APKMMEN1LMNAPOLB
SCHEMBL9081222 0.77 KMT2A (0.37) HRH4KMT2APKMMEN1LMNA
SCHEMBL9079252 0.77 PLAAT3 (0.40) KMT2APKMMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024197124-A9 ARGININE VASOPRESSIN RECEPTOR (AVPR) ANTAGONISTS AND METHODS OF USING THEREOF UNIVERSITY OF MIAMI (US) 2024-12-19 WO disclosed
US-20240363249-A1 Machine Learning Disease Prediction and Treatment Prioritization AMPEL BIOSOLUTIONS, LLC 2024-10-31 US disclosed
US-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-11-02 US disclosed
US-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-11-02 US disclosed
US-11564970-B2 Compositions and methods for combinatorial drug discovery in nanoliter droplets THE BROAD INSTITUTE, INC. (US) 2023-01-31 US disclosed
CN-114040767-A Methods and compositions comprising 5HT receptor agonists for the treatment of psychological, cognitive, behavioral and/or emotional disorders 钻石治疗公司 2022-02-11 CN disclosed
US-20210104321-A1 MACHINE LEARNING DISEASE PREDICTION AND TREATMENT PRIORITIZATION UNITED BANK 2021-04-08 US disclosed
US-20200353033-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS THE BROAD INSTITUTE, INC. (US) 2020-11-12 US disclosed
US-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL UNIVERSITÉ PARIS CITÉ (FR) 2019-06-13 US disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US disclosed
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
WO-2013107336-A1 THERAPEUTIC USES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-07-25 WO disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
WO-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 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 (6 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-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 HRH4 4196/4885HRH3 3911/4885KMT2A 4648/4885
US-20150080380-A1 Therapeutic Uses HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885KMT2A 340/4885
US-20200353033-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 HRH4 4196/4885HRH3 3911/4885KMT2A 4648/4885
US-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL IFNAR1, CXCR4, CXCR3 HRH4 515/4885HRH3 667/4885KMT2A 4438/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS HRH4 4411/4885HRH3 4385/4885KMT2A 4241/4885
US-11564970-B2 Compositions and methods for combinatorial drug discovery in nanoliter droplets RAB5IF, LIPA, CLTB HRH4 3614/4885HRH3 3166/4885KMT2A 4749/4885

“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.