SCHEMBL84296

SCHEMBL84296

Brc1ccc2occ(I)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PIM1 P11309 2/20 0.38
AHR P35869 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 7/20 0.35

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
SCHEMBL30695267 0.78 PTPN1 (0.53) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL12830182 0.75
SCHEMBL8256758 0.75 PTPN1 (0.50) PTPN1HTTMEN1KMT2AMAOA
SCHEMBL19099914 0.75 CYP3A4 (0.46) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL789581 0.75 ALDH1A1 (0.51) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL28559757 0.75 PTPN1 (0.50) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL2090796 0.75 PTPN1 (0.50) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL13726243 0.75 PTPN1 (0.50) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL31405756 0.75 ALDH1A1 (0.51) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL8950366 0.75 ALDH1A1 (0.47) PTPN1ALDH1A1HTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 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 (4 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 PTPN1 1148/4885ALDH1A1 4299/4885HTT 2368/4885
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO PTPN1 2111/4885ALDH1A1 2174/4885HTT 119/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 PTPN1 1148/4885ALDH1A1 4299/4885HTT 2368/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PTPN1 1696/4885ALDH1A1 1212/4885HTT 2289/4885

“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.