SCHEMBL3773393

SCHEMBL3773393

COc1ccc(OC)c(Sc2ncccc2C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
DRD3 P35462 2/20 0.40
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 1/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3772205 0.82 ALDH1A1 (0.50) LMNARAB9ANPC1ALDH1A1KDM4E
SCHEMBL13005958 0.81 KMT2A (0.55) LMNARAB9AGAAALDH1A1KDM4E
SCHEMBL3767714 0.81 HRH3 (0.50) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL3769405 0.80 KDM2B (0.54) RAB9AGAANPC1ALDH1A1KDM4E
SCHEMBL3769123 0.80 HSD11B1 (0.44) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL4976020 0.80 HSP90AB1 (0.57) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL3770169 0.80 KDM4E (0.46) LMNAGAANPC1ALDH1A1KDM4E
SCHEMBL3774253 0.79 HRH3 (0.44) ALDH1A1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL3770107 0.77 KDM4E (0.66) GAAALDH1A1KDM4EHTTTDP1
SCHEMBL3767550 0.76 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 LMNA 2902/4885RAB9A 3824/4885GAA 2143/4885

“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.