SCHEMBL2004186

SCHEMBL2004186

CC(=O)Oc1ccc(NN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HSP90AA1 P07900 1/20 0.61
LMNA P02545 3/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PKM P14618 3/20 0.52
POLB P06746 2/20 0.52
ELANE P08246 1/20 0.50
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FLT3 P36888 1/20 0.45

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
Hydrochloric Acid SCHEMBL28564788 0.98 MAPT (0.59) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL9389493 0.85 GAA (0.48) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL10387416 0.83 MAPT (0.85) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL269329 0.82 LMNA (0.80) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL1964865 0.81 MAPT (0.63) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL11826982 0.81 MAPT (0.63) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL8264218 0.80 ALDH1A1 (0.61) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL14760365 0.79 LMNA (0.76) MAPTGAAALDH1A1HSP90AA1LMNA
Lithium SCHEMBL30522746 0.79 LMNA (0.76) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL10499253 0.79 MAPT (0.61) MAPTGAAALDH1A1HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-7964361-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2011-06-21 US disclosed
US-20090281279-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2009-11-12 US disclosed
WO-2008131148-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-30 WO disclosed
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
US-7408062-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2008-08-05 US disclosed
US-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY 2007-10-18 US disclosed
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-6686145-B1 IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS BY COVALENT AND NONCOVALENT ASSOCIATION CARNEGIE MELLON UNIVERSITY 2004-02-03 US disclosed
US-20030224391-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY 2003-12-04 US disclosed
EP-1042407-B1 RIGIDIZED TRIMETHINE CYANINE DYES UNIV CARNEGIE MELLON (US) 2001-09-12 EP disclosed
US-6133445-A USEFUL FOR IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS CARNEGIE MELLON UNIVERSITY (US) 2000-10-17 US disclosed
EP-1042407-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE-MELLON UNIVERSITY (US) 2000-10-11 EP disclosed
WO-1999031181-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY (US) 1999-06-24 WO disclosed
US-4650810-A OR INDOLE-5-THIOACETAMIDES GLAXO GROUP LIMITED (GB) 1987-03-17 US disclosed
US-4329285-A REACTING WITH ACETOFORMIC ANHYDRIDE C R A F SUD (IT) 1982-05-11 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 (5 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-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES SIGMAR1, CBR1, NR0B1 MAPT 4578/4885GAA 4727/4885ALDH1A1 1428/4885
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, APBA1, BACE2 MAPT 10/4885GAA 1299/4885ALDH1A1 3983/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 MAPT 2136/4885GAA 4322/4885ALDH1A1 3193/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 MAPT 4395/4885GAA 4722/4885ALDH1A1 2154/4885
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A MAPT 4017/4885GAA 1182/4885ALDH1A1 402/4885

“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.