SCHEMBL7900045

SCHEMBL7900045

NCC1Cc2ccccc2S1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.38
HRH1 P35367 3/20 0.38
RET P07949 1/20 0.38
HTR2C P28335 1/20 0.38
DRD2 P14416 1/20 0.34
IDO1 P14902 3/20 0.33
SIGMAR1 Q99720 1/20 0.32
PLAU P00749 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
SCHEMBL9722865 0.81 SIGMAR1 (0.42) HTR2AHRH1RETHTR2CIDO1
SCHEMBL6820707 0.80 DRD3 (0.36) SIGMAR1
SCHEMBL14001335 0.80 ALDH1A1 (0.33) SIGMAR1
SCHEMBL10211030 0.77 SIGMAR1 (0.33) HTR2AHRH1SIGMAR1
SCHEMBL10368970 0.77 GSK3B (0.41) SIGMAR1
SCHEMBL14861864 0.74 DRD3 (0.36) SIGMAR1
SCHEMBL13785192 0.74 POLB (0.35) HTR2AHTR2CIDO1
SCHEMBL13936948 0.73 ALDH1A1 (0.31)
SCHEMBL6155707 0.73
SCHEMBL13271302 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 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 (3 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 HTR2A 2443/4885HRH1 2751/4885RET 4842/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 HTR2A 2580/4885HRH1 313/4885RET 75/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HTR2A 2443/4885HRH1 2751/4885RET 4842/4885

“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.