SCHEMBL4882909

SCHEMBL4882909

Cc1nc2cc(Cl)c(Cl)cc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
DCTPP1 Q9H773 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL31735888 0.85 KDM4E (0.51) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL23302246 0.85 KDM4E (0.51) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL30390474 0.85 KDM4E (0.51) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL24463160 0.85 KDM4E (0.51) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL13916682 0.84 KDM4E (0.69) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL13916685 0.82 KDM4E (0.67) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL11532299 0.82 KDM4E (0.49) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL13035825 0.82 KDM4E (0.49) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL6492005 0.82 KDM4E (0.49) KDM4EALDH1A1LMNACCNT1CDK9
SCHEMBL23679807 0.81 SMN1; SMN2 (0.55) KDM4EALDH1A1LMNACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877791-B2 Inhibitors of pyruvate kinase and methods of treating disease BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-11-04 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
EP-1377642-B1 COLORING COMPOSITION FOR IMAGE FORMATION AND METHOD FOR IMPROVING OZONE RESISTANCE OF COLOR IMAGE FUJIFILM CORP (JP) 2013-01-09 EP disclosed
US-20100099726-A1 INHIBITORS OF PYRUVATE KINASE AND METHODS OF TREATING DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 US disclosed
US-6291203-B1 UNSYMMETRICAL FLUORESCENT DYES FOR ORGANELLES MOLECULAR PROBES, INC. 2001-09-18 US disclosed
US-4883880-A Process for the preparation of sulfoalkyl quaternary salts and for the production of alkane sultones AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) 1989-11-28 US disclosed
US-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 US disclosed
US-4504668-A Process for the preparation of N-sulfoalkyl quaternary salts of nitrogen heterocyclics AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-03-12 US disclosed
EP-0064667-B1 PROCESS FOR THE PREPARATION OF SULFOALKYL QUATERNARY SALTS Agfa-Gevaert AG (DE) 1984-11-28 EP disclosed
EP-0055428-B1 BIS-(3-SULFOPROPYL)ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALKYLATING AGENTS FOR ORGANIC BASES Agfa-Gevaert AG (DE) 1984-03-14 EP disclosed
EP-0034279-B1 SULFOALKYLATING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE MANUFACTURE OF QUANTERNARY SULFOALKYL SALTS Agfa-Gevaert AG (DE) 1983-06-22 EP disclosed
EP-0064667-A1 Process for the preparation of sulfoalkyl quaternary salts Agfa-Gevaert AG (DE) 1982-11-17 EP disclosed
EP-0055428-A1 Bis-(3-sulfopropyl)ethers, process for their preparation and their use as alkylating agents for organic bases Agfa-Gevaert AG (DE) 1982-07-07 EP disclosed
EP-0034279-A2 Sulfoalkylating agents, process for their preparation and their use in the manufacture of quanternary sulfoalkyl salts Agfa-Gevaert AG (DE) 1981-08-26 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 (2 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-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 KDM4E 3085/4885ALDH1A1 760/4885LMNA 975/4885
US-20100099726-A1 INHIBITORS OF PYRUVATE KINASE AND METHODS OF TREATING DISEASE PDK1, PDK4, PDK3 KDM4E 1017/4885ALDH1A1 978/4885LMNA 2446/4885

“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.