SCHEMBL3750133

SCHEMBL3750133

C#Cc1ccsc1-c1c(C)c(C(=O)OCC)nn1-c1ccc(Cl)cc1Cl.C1CC2CC2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR1 P21554 13/20 0.46
CNR2 P34972 7/20 0.45

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
Cyclopentane SCHEMBL3282266 0.93 KDM4E (0.53) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3743034 0.90 CNR1 (0.49) CNR1CNR2
SCHEMBL3754418 0.87 KDM4E (0.51) KDM4EMEN1MAPTMAPK1KMT2A
Cyclopentane SCHEMBL3281526 0.82 CNR1 (0.50) CNR1CNR2
SCHEMBL3294631 0.76 KDM4E (0.52) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3744077 0.76 CNR1 (0.47) CNR1CNR2
SCHEMBL3735382 0.75 KDM4E (0.49) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3735383 0.74 CNR2 (0.50) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL16161240 0.74 KDM4E (0.49) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3280613 0.74 CNR2 (0.64) KDM4EMEN1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068870-B1 THIOPHENE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2013-03-27 EP disclosed
US-7834046-B2 Thiophene compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-11-16 US disclosed
CN-101535260-A Thiophene compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-16 CN disclosed
US-20090029969-A2 Thiophene Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-01-29 US disclosed
US-20080090810-A1 THIOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 US 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-20080090810-A1 THIOPHENE COMPOUNDS CNR1, CNR2, HTR2C KDM4E 1205/4885MEN1 2402/4885MAPT 1046/4885
US-20090029969-A2 Thiophene Compounds CNR1, CNR2, HTR2C KDM4E 1205/4885MEN1 2402/4885MAPT 1046/4885

“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.