SCHEMBL2599222

SCHEMBL2599222

Cc1ccc2c(n1)C(=O)C=CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 1.00
CDC25B P30305 2/20 0.45
NSD2 O96028 3/20 0.42
G6PD P11413 2/20 0.42
DNMT1 P26358 2/20 0.42
CYP2C19 P33261 2/20 0.38
IDO1 P14902 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AKT1 P31749 1/20 0.37
SNCA P37840 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PIN1 Q13526 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
NSD1 Q96L73 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
CCR1 P32246 1/20 0.36
RAB9A P51151 1/20 0.36
CCR5 P51681 1/20 0.36
NOS1 P29475 1/20 0.32

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
SCHEMBL3722975 0.75 S100A4 (0.59) S100A4NSD2G6PDDNMT1CYP2C19
SCHEMBL11358184 0.74 S100A4 (0.59) S100A4CDC25BCYP2C19IDO1MAOA
SCHEMBL28289103 0.74 S100A4 (0.59) S100A4CDC25BNSD2CYP2C19IDO1
SCHEMBL6412872 0.74 S100A4 (0.58) S100A4CDC25BNSD2G6PDDNMT1
Water SCHEMBL10372295 0.73 NSD2 (0.58) S100A4NSD2G6PDDNMT1CYP2C19
SCHEMBL3546351 0.71 S100A4 (0.55) S100A4CDC25BCYP2C19IDO1MAOA
SCHEMBL8580396 0.69 NSD2 (0.56) S100A4CDC25BNSD2G6PDDNMT1
SCHEMBL3555324 0.69 S100A4 (0.51) S100A4CDC25BCYP2C19MAOARAB9A
SCHEMBL24267282 0.68 S100A4 (0.52) S100A4NSD2G6PDDNMT1CYP2C19
SCHEMBL261649 0.68 S100A4 (0.52) S100A4NSD2G6PDDNMT1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US claimed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO claimed
EP-3934634-B1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE UNIV MICHIGAN REGENTS (US) 2024-07-24 EP disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
US-5712289-A ANTITUMOR AGENTS, INTERMEDIATES FOR LAVENDAMYCINS BALL STATE UNIVERSITY (US) 1998-01-27 US disclosed
EP-0701557-A4 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1997-07-09 EP disclosed
US-5646150-A ADMINISTERING AS ANTITUMOR AGENT, ANTIPROTOZOA AGENT, VIRICIDE, PARASITICIDE, OR BACTERICIDE BALL STATE UNIVERSITY (US) 1997-07-08 US disclosed
US-5525611-A ANTITUMOR AGENT, BACTERICIDES, VIRICIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1996-06-11 US disclosed
EP-0701557-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ, Mohammad (US) 1996-03-20 EP disclosed
WO-1994029308-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1994-12-22 WO disclosed
EP-0107367-B1 6-SUBSTITUTED-QUINOLINE-5,8-QUINONES ELI LILLY AND COMPANY (US) 1989-08-02 EP disclosed
US-4492704-A ANTHISTAMINES ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed
EP-0107367-A2 6-Substituted-quinoline-5,8-quinones ELI LILLY AND COMPANY (US) 1984-05-02 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 (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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 S100A4 1/4885CDC25B 211/4885NSD2 2772/4885
US-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES S100A4 64/4885CDC25B 3070/4885NSD2 4226/4885

“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.