SCHEMBL4287720

SCHEMBL4287720

O=C1CN(Cc2ccccc2)C(=O)[C@@H](Cc2cccc(F)c2)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.60
HDAC1 Q13547 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
OPRK1 P41145 5/20 0.59
TACR1 P25103 1/20 0.48
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TNF P01375 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4293912 0.91 HDAC6 (0.60) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL3492181 0.88 HDAC6 (0.68) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL873682 0.88 HDAC6 (0.68) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL876552 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL8452072 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL877776 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL4288593 0.87 HDAC6 (0.61) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL25403938 0.85 HDAC6 (0.63) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL2084503 0.85 OPRK1 (0.63) HDAC6HDAC1HDAC8OPRK1TACR1
SCHEMBL4288518 0.85 TACR1 (0.60) HDAC6HDAC1HDAC8OPRK1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885

“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.