SCHEMBL4510567

SCHEMBL4510567

[NH]C(=S)NC1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL4510570 0.82 HTR2A (0.36) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL3601520 0.80 HTR2A (0.33) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL28013372 0.77 ALDH1A1 (0.48) KDM4ELMNACYP3A4HSD17B10
SCHEMBL3601522 0.76 MEN1 (0.36) HTR6HTR2ASIGMAR1LMNACYP2D6
SCHEMBL7742519 0.75 HTR2A (0.36) HTR6HTR2ASIGMAR1LMNACYP3A4
SCHEMBL835707 0.75 MTNR1A (0.39) HTR2ASIGMAR1KDM4ELMNATP53
SCHEMBL6542107 0.74 HTR2A (0.40) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL28106726 0.74 HTR6 (0.32) HTR6HTR2ASIGMAR1LMNACYP2D6
SCHEMBL4515519 0.72 IDO1 (0.33)
SCHEMBL1920068 0.71 SSTR1 (0.36) KDM4ELMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HTR6 2606/4885HTR2A 3226/4885SIGMAR1 1738/4885

“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.