SCHEMBL3555705

SCHEMBL3555705

C[C@H](Nc1cc(I)ccn1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.59
MAPK14 Q16539 4/20 0.52
ADRA1D P25100 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
CAMK2D Q13557 6/20 0.51
MAPKAPK2 P49137 2/20 0.50

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
SCHEMBL19478461 0.82 HTR7 (0.57) HTR7MAPK14ADRA1DHTR2CADRA1A
SCHEMBL17439303 0.81 HTR7 (0.56) HTR7MAPK14ADRA1DHTR2CADRA1A
SCHEMBL20197172 0.79 MAPK14 (0.42) HTR7MAPK14
SCHEMBL7232240 0.78 AR (0.55) HTR7MAPK14ADRA1DHTR2CADRA1A
SCHEMBL5981398 0.78 KDM4E (0.56) HTR7
SCHEMBL10594962 0.78 KDM4E (0.56) HTR7
SCHEMBL17560828 0.78 HTR7 (0.70) HTR7
SCHEMBL7242746 0.77 HTR7 (0.52) HTR7MAPK14ADRA1DHTR2CADRA1A
SCHEMBL20003794 0.76 FDPS (0.36) HTR7MAPK14CAMK2D
SCHEMBL23938187 0.75 HDAC4 (0.48) HTR7

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A HTR7 3199/4885MAPK14 680/4885ADRA1D 3409/4885

“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.