SCHEMBL498595

SCHEMBL498595

N#Cc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.42
KDM1A O60341 1/20 0.42
NR3C1 P04150 1/20 0.38
AR P10275 1/20 0.38
TRPA1 O75762 1/20 0.36
LRRK2 Q5S007 1/20 0.33
INPPL1 O15357 1/20 0.33
DPP4 P27487 1/20 0.32
BACE1 P56817 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL13074418 0.97 PGR (0.43) PGRKDM1ANR3C1ARTRPA1
SCHEMBL25623168 0.87 KDM1A (0.40) PGRKDM1ANR3C1ARTRPA1
SCHEMBL15220429 0.84 KDM1A (0.41) PGRKDM1ANR3C1ARTRPA1
SCHEMBL13185233 0.83 AR (0.47) PGRNR3C1AR
SCHEMBL22763313 0.83 DPP4 (0.49) DPP4MAPK1
SCHEMBL498818 0.83 DPP4 (0.49) DPP4MAPK1
2,5-Thiophenedinitrile SCHEMBL996528 0.82
SCHEMBL26503081 0.82 PGR (0.37) PGRKDM1ANR3C1ARTRPA1
SCHEMBL9777540 0.80 PGR (0.33) PGRKDM1ANR3C1AR
SCHEMBL4007009 0.80 PGR (0.40) PGRKDM1ANR3C1ARTRPA1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 EP disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 US disclosed
US-8852629-B2 Drug delivery system for hydrophobic drugs VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2014-10-07 US disclosed
EP-1357912-B9 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-06-13 EP disclosed
EP-1357912-B1 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-04-25 EP disclosed
US-20120041356-A1 PHOTODYNAMIC THERAPY FOR CONDITIONS OF THE EYE QLT INC. (CA) 2012-02-16 US disclosed
US-8106038-B2 Method for reducing or preventing PDT related inflammation QLT INC. (CA) 2012-01-31 US disclosed
EP-2379109-A1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE Qlt Inc. (CA) 2011-10-26 EP disclosed
US-8034803-B2 Treating an occult choroidal neovascular lesion QLT INC. (CA) 2011-10-11 US disclosed
US-7850981-B2 Immuno-adjuvant PDT treatment of metastatic tumors QLT, INC. (CA) 2010-12-14 US disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 US disclosed
WO-2001085213-A2 SUPPORTS FOR PHOTOSENSITIZER FORMULATIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 WO disclosed
US-5753692-A PLANT EXTRACTS, IMMUNOSTIMULANTS TREATING IMMUNODEFICIENCY DISEASES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-19 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed
US-5045563-A Terthienyl Compound HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) 1991-09-03 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 (2 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-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA PGR 1766/4885KDM1A 3650/4885NR3C1 4547/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 PGR 1675/4885KDM1A 4394/4885NR3C1 4132/4885

“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.