SCHEMBL12859619

SCHEMBL12859619

c1cc2c3sccc3c3c(c4c5ccsc5c5cccn5c4c4c5ccsc5c5cccn5c34)n2c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.33
HTR2C P28335 5/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL12270317 0.86 KDM4E (0.34) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL12270385 0.76 HTR1A (0.39) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL12859617 0.70 GPR3 (0.42)
SCHEMBL12270179 0.67 GPR3 (0.39)
SCHEMBL12270275 0.64 DYRK1A (0.38)
SCHEMBL13169665 0.63 KDM4E (0.36) HTR1AHTR2C
SCHEMBL12859618 0.63 CHEK1 (0.31)
SCHEMBL20213576 0.62 DYRK1A (0.37)
SCHEMBL17072186 0.62 DYRK1A (0.37)
SCHEMBL12270507 0.62 CHEK1 (0.33)

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-20110028739-A1 TRI-SUBSTITUTED AROMATIC COMPOUND KEIO UNIVERSITY (JP) 2011-02-03 US disclosed
US-20110028739-A1 TRI-SUBSTITUTED AROMATIC COMPOUND KEIO UNIVERSITY (JP) 2011-02-03 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-20110028739-A1 TRI-SUBSTITUTED AROMATIC COMPOUND AHR, AR, ARNT HTR1A 118/4885HTR2C 203/4885HTR3E 371/4885

“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.