SCHEMBL2331449

SCHEMBL2331449

O=c1c(-c2ccccc2Cl)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.63
NTRK1 P04629 1/20 0.59
PLK3 Q9H4B4 1/20 0.59
LMNA P02545 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
DDR2 Q16832 1/20 0.55
CA12 O43570 1/20 0.55
TP53 P04637 1/20 0.55
ABCB1 P08183 1/20 0.55
CALM1 P0DP23 1/20 0.55
AR P10275 1/20 0.55
PKM P14618 1/20 0.55
CYP1B1 Q16678 1/20 0.55

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
SCHEMBL6976350 0.85 PTGS2 (0.61) ADORA3NTRK1PLK3NMUR2RET
SCHEMBL6977676 0.85 PTGS2 (0.61) ADORA3NTRK1PLK3LMNACA1
SCHEMBL29349443 0.84 KMT2A (0.69) ADORA3NTRK1PLK3LMNACA1
SCHEMBL693914 0.84 KMT2A (0.69) ADORA3NTRK1PLK3LMNACA1
SCHEMBL7703075 0.82 PLA2G2A (0.73) ADORA3NTRK1PLK3LMNACA1
SCHEMBL31717956 0.82 KMT2A (0.67) ADORA3NTRK1PLK3LMNACA1
SCHEMBL28162855 0.82 KMT2A (0.67) ADORA3NTRK1PLK3LMNACA1
SCHEMBL28847414 0.82 KMT2A (0.67) ADORA3NTRK1PLK3LMNACA1
SCHEMBL4530776 0.82 NTRK1 (0.59) ADORA3NTRK1PLK3LMNACA1
SCHEMBL87774 0.78 ADORA3 (1.00) ADORA3LMNACA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912178-B1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INST BIOMEDICAL RES (US) 2020-06-17 EP disclosed
US-10160977-B2 Super-enhancers and methods of use thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-12-25 US disclosed
US-20160237490-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2016-08-18 US disclosed
US-9181580-B2 Super-enhancers and methods of use thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-11-10 US disclosed
US-9155724-B2 Combination methods for treatment of disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-10-13 US disclosed
EP-2912178-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF The Whitehead Institute for Biomedical Research (US) 2015-09-02 EP disclosed
US-20150111761-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2015-04-23 US disclosed
US-20140296218-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-10-02 US disclosed
US-20140287932-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-25 US disclosed
WO-2014066848-A9 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-08-14 WO disclosed
WO-2014066848-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-05-01 WO disclosed
US-20130053415-A1 COMBINATION METHODS FOR TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-02-28 US disclosed
EP-2544686-A2 COMBINATION METHODS FOR TREATMENT OF DISEASE Whitehead Institute For Biomedical Research (US) 2013-01-16 EP disclosed
WO-2011097522-A2 COMBINATION METHODS FOR TREATMENT OF DISEASE WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-08-11 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 (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-20130053415-A1 COMBINATION METHODS FOR TREATMENT OF DISEASE NFATC1, IRF3, BCOR ADORA3 3752/4885NTRK1 2854/4885PLK3 3124/4885

“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.