SCHEMBL2779531

SCHEMBL2779531

COC(=S)N(N)c1nccc(-c2cccs2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL2785412 0.72 POLB (0.35) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2779967 0.71 MEN1 (1.00) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8349996 0.70 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15503843 0.69 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL18499260 0.69 KDM4E (0.74) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL623986 0.68 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2345970 0.68 ALDH1A1 (0.69) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13610287 0.68 KDM4E (0.66) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2779528 0.68 MEN1 (0.64) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1466526 0.65 SCN1A (0.34) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E MEN1 4300/4885KMT2A 4384/4885KDM4E 3290/4885

“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.