SCHEMBL6819310

SCHEMBL6819310

CCc1ccc2c(C=O)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.58
IMPDH2 P12268 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIM3 Q86V86 3/20 0.44
PIM1 P11309 1/20 0.44
KIF11 P52732 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL29957436 1.00 CYP2A6 (0.58) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL5403384 0.87 ALDH1A1 (0.58) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL23725271 0.83 CYP2A6 (0.63) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL7487153 0.81 CYP2A6 (0.57) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL29152827 0.80 CYP2A6 (0.54) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL2056399 0.80 GABRA1 (0.56) MAPTHTR1AHTR1DHTR1BGABRA1
SCHEMBL9006903 0.79 HTR1D (0.54) KIF11HTR1AHTR1DHTR1BGABRA1
SCHEMBL1049957 0.77 PIM3 (0.65) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL29935657 0.77 PIM3 (0.65) CYP2A6ALDH1A1MAPTKDM4EIMPDH2
SCHEMBL29957546 0.76 ALDH1A1 (0.70) CYP2A6ALDH1A1MAPTKDM4EIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
CN-103402996-B Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2015-02-11 CN disclosed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS INTELLIKINE, INC. (US) 2011-11-03 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
EP-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 EP disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
CN-1172476-A Propenone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-02-04 CN disclosed
EP-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 EP disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP 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-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 CYP2A6 4562/4885ALDH1A1 4833/4885MAPT 2851/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 CYP2A6 4699/4885ALDH1A1 4739/4885MAPT 2921/4885
US-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CYP2A6 493/4885ALDH1A1 2495/4885MAPT 4024/4885
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS MTOR, PIK3C2B, PRKCH CYP2A6 4717/4885ALDH1A1 4570/4885MAPT 1577/4885

“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.