SCHEMBL4016207

SCHEMBL4016207

O=C1[C]c2ccc3ccccc3c2C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
CYP2A6 P11509 1/20 0.39
HPRT1 P00492 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CES1 P23141 1/20 0.36
P2RX4 Q99571 1/20 0.36
HPGD P15428 3/20 0.35
HIF1A Q16665 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 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
SCHEMBL8641042 0.67 ALDH1A1 (0.59) PAX8ALDH1A1HSD17B10TDP1TSHR
SCHEMBL5391723 0.65 ALDH1A1 (0.52) PAX8ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6545899 0.65 ALDH1A1 (0.52) PAX8ALDH1A1HSD17B10TDP1TSHR
SCHEMBL15235 0.64 CES1 (0.53) PAX8ALDH1A1HSD17B10TDP1TSHR
SCHEMBL3783382 0.64 CES1 (0.44) PAX8ALDH1A1HSD17B10TDP1TSHR
Phenanthrene SCHEMBL28339999 0.64 CYP2A6 (0.92) PAX8ALDH1A1HSD17B10TDP1TSHR
Phenanthrene SCHEMBL258411 0.64 ALDH1A1 (0.67) PAX8ALDH1A1HSD17B10TDP1TSHR
Methane SCHEMBL25275368 0.63 CES1 (0.51) PAX8ALDH1A1HSD17B10TDP1TSHR
Water SCHEMBL8525158 0.63 CES1 (0.51) PAX8ALDH1A1HSD17B10TDP1TSHR
SCHEMBL1505694 0.63 ANPEP (0.41) PAX8ALDH1A1HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US claimed
WO-2009109610-A1 USE OF NAD INFORMATION INHIBITORS FOR THE TREATMENT OF ISCHEMIA-REPERFUSION INJURY TOPOTARGET SWITZERLAND S.A. (CH) 2009-09-11 WO claimed
EP-2073808-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES Topotarget Switzerland SA (CH) 2009-07-01 EP claimed
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO claimed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP claimed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US claimed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 US claimed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US claimed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US claimed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 EP claimed
JP-2000512652-A 2000-09-26 JP claimed
EP-0934309-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-08-11 EP claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 EP claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed

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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 PAX8 1740/4885ALDH1A1 216/4885HSD17B10 3372/4885
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 PAX8 2024/4885ALDH1A1 173/4885HSD17B10 2749/4885
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK PAX8 893/4885ALDH1A1 113/4885HSD17B10 2268/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 PAX8 2117/4885ALDH1A1 168/4885HSD17B10 3093/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 PAX8 4773/4885ALDH1A1 1237/4885HSD17B10 1985/4885

“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.