SCHEMBL325229

SCHEMBL325229

CCCCN(c1cccs1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ESR2 Q92731 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL84309 0.86 KMT2A (0.38) KMT2ALMNAHTTNPSR1POLB
SCHEMBL4756582 0.84 KMT2A (0.40) KMT2ALMNAHTTNPSR1POLB
SCHEMBL6642474 0.82 KMT2A (0.36) KMT2ALMNAHTTNPSR1POLB
SCHEMBL9879845 0.80 ALDH1A1 (0.35) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL5888976 0.80 HDAC1 (0.36) KMT2ALMNAHTTNPSR1POLB
SCHEMBL4757636 0.79 HDAC1 (0.39) KMT2ALMNAHTTNPSR1POLB
SCHEMBL9420129 0.77 KMT2A (0.41) KMT2ALMNAHTTNPSR1POLB
SCHEMBL27459264 0.73 ALDH1A1 (0.37) KMT2ALMNANPSR1POLBMAPT
SCHEMBL84280 0.71 ALDH1A1 (0.41) KMT2ALMNANPSR1MAPTALDH1A1
SCHEMBL7958544 0.71 ADRA2A (0.32) KMT2ALMNAPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018227-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS CHARACTERIZED WITH TGF-BETA ACTIVITY THE JOHNS HOPKINS UNIVERSITY 2024-01-18 US disclosed
WO-2022093967-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS CHARACTERIZED WITH TGF-BETA ACTIVITY THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-05 WO disclosed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP disclosed
WO-2020226683-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-12 WO disclosed
US-8519154-B2 Method for treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-27 US disclosed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
US-20120202868-A1 METHOD FOR TREATMENT OF BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 US disclosed
EP-2271332-B1 USE OF COMPOUNDS IN THE TREATMENT OF TAUOPATHY BIOALVO SERVICOS INVESTIGACAO E DESENVOLVIMENTO EM BIOTECNOLOGIA S A (PT) 2012-06-20 EP disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
WO-2005087213-A1 COMBINATION OF DERAMCICLANE AND OPOIDS AS ANALGESICS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-09-22 WO disclosed
US-6063803-A ANALGESICS AND CHEMICAL INTERMEDIATES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-05-16 US disclosed
WO-1999065911-A1 OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES USEFUL AS ANALGESIC AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-12-23 WO disclosed
US-5837716-A ANALGESICS ALBANY MEDICAL COLLEGE (US) 1998-11-17 US disclosed
EP-0861075-A1 ANALGESIC COMPOUNDS AND USES THEREOF ALBANY MEDICAL COLLEGE (US) 1998-09-02 EP disclosed
WO-1997017954-A1 ANALGESIC COMPOUNDS AND USES THEREOF ALBANY MEDICAL COLLEGE (US) 1997-05-22 WO disclosed
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
EP-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 EP 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-20120202868-A1 METHOD FOR TREATMENT OF BRONCHIAL ASTHMA CHRM3, CHRM1, CHRM2 KMT2A 438/4885LMNA 4145/4885HTT 4882/4885

“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.