SCHEMBL16776320

SCHEMBL16776320

O=C(NCCc1cccnc1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ CHRM4 P08173 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ SCD O00767 2/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL16776370 0.95 EPHX1 (0.40) KMT2AMEN1TRPV1CHRM4GRIN1
SCHEMBL16776316 0.92 CA12 (0.42) KMT2AMEN1TRPV1CHRM4CDK8
SCHEMBL16776305 0.87 ASAH1 (0.41) CHRM4
SCHEMBL16776303 0.87 ASAH1 (0.44) SIGMAR1
SCHEMBL16776337 0.87 EPHB4 (0.39) TRPV1CHRM4GRIN1GRIN2BEPHB4
SCHEMBL16776302 0.85 POLB (0.43) KDM4EPOLBEPHB4
SCHEMBL16776325 0.85 CHRM4 (0.40) KMT2ACHRM4GRIN1GRIN2BKDM4E
SCHEMBL16775824 0.85 HTR2A (0.50) KMT2AMEN1
SCHEMBL16776356 0.83 CYP1A2 (0.38) KDM4EMAPK1
SCHEMBL16776358 0.83 HTR2C (0.48) KMT2AMEN1EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885TRPV1 3670/4885

“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.

Send feedback