SCHEMBL1806111

SCHEMBL1806111

CC1NC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.67
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
PRAP1 Q96NZ9 1/20 0.50

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
SCHEMBL8242343 1.00 PARP1 (0.67) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL20544385 0.85 PARP1 (0.55) PARP1
SCHEMBL3388659 0.84 PARP1 (0.71) PARP1PRAP1
SCHEMBL8055652 0.84 PARP1 (0.74) PARP1
SCHEMBL8050461 0.84 PARP1 (0.74) PARP1
SCHEMBL2208157 0.84 PARP1 (0.74) PARP1
SCHEMBL4093910 0.84 PARP1 (0.61) PARP1PRAP1
SCHEMBL13007009 0.83 PARP1 (0.72) PARP1PRAP1
SCHEMBL863338 0.82 PARP1 (0.92) PARP1
SCHEMBL29408705 0.82 PARP1 (0.92) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021108350-A1 COMBINATION THERAPY USING FABP5 INHIBITORS WITH TAXANES FOR TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-06-03 WO disclosed
US-20140363522-A1 Compositions and Methods for Treating and/or Preventing Cancer by Inhibiting Fatty Acid Binding Proteins NIH - DEITR 2014-12-11 US disclosed
US-8748470-B2 Methods for treating ovarian cancer by inhibiting fatty acid binding proteins THE UNIVERSITY OF CHICAGO (US) 2014-06-10 US disclosed
US-20120289570-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING CANCER BY INHIBITING FATTY ACID BINDING PROTEINS NIH 2012-11-15 US disclosed
WO-2011058367-A2 DIAGNOSTIC TEST FOR PREDICTING RESPONSIVENESS TO TREATMENT WITH POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR ASTRAZENECA AB (SE) 2011-05-19 WO disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 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-20090069303-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2875/4885CYP3A4 1684/4885CYP2C9 2008/4885
US-20070093489-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2388/4885CYP3A4 1674/4885CYP2C9 2031/4885

“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.