SCHEMBL4805873

SCHEMBL4805873

CN(C(=O)C1CCCc2sc(NC(=O)CCc3ccccc3)nc21)C1CCN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.42
HDAC1 Q13547 1/20 0.41
JAK2 O60674 2/20 0.40
MCHR1 Q99705 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
WNK1 Q9H4A3 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4805240 0.93 HDAC1 (0.42) CHRM4HDAC1JAK2MCHR1ALDH1A1
SCHEMBL4801125 0.86 SMN1; SMN2 (0.39) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL4808373 0.86 HDAC1 (0.40) CHRM4HDAC1JAK2MCHR1ALDH1A1
SCHEMBL3163296 0.83 HDAC1 (0.41) CHRM4HDAC1JAK2MCHR1ALDH1A1
SCHEMBL4802804 0.77 KDM4E (0.39) JAK2ALDH1A1MAPTGAARAB9A
SCHEMBL3172349 0.76 ADORA3 (0.50) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL3163123 0.76 NPC1 (0.44) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL4804499 0.75 CCR5 (0.36) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL4802914 0.75 KMT2A (0.38) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4796918 0.74 ACHE (0.42) ALDH1A1MAPTGAARAB9AKDM4E

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-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 CHRM4 500/4885HDAC1 308/4885JAK2 68/4885

“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.