SCHEMBL2458698

SCHEMBL2458698

CCCC1CN(c2ccc3nc(-c4ccc(F)c(OC)c4)n(CC(=O)O)c(=O)c3c2)CC(C)(C)CN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.43
AKR1B10 O60218 5/20 0.34
GHSR Q92847 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
GRK6 P43250 1/20 0.32
ABCC1 P33527 1/20 0.32
PDE4B Q07343 1/20 0.32
AVPR1A P37288 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
SCHEMBL2466553 0.94 AVPR1B (0.44) AVPR1BAKR1B10GHSRKDM4EMEN1
SCHEMBL2461959 0.92 AVPR1B (0.40) AVPR1BGHSRKDM4EMEN1ALDH1A1
SCHEMBL2456334 0.92 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL12334746 0.92 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL2459891 0.90 AVPR1B (0.45) AVPR1BAKR1B10GHSRKDM4EMEN1
SCHEMBL2465136 0.88 AVPR1B (0.46) AVPR1BAKR1B10GHSRAVPR1A
SCHEMBL2461887 0.86 AVPR1B (0.41) AVPR1BGHSRKDM4EMEN1ALDH1A1
SCHEMBL3451949 0.86 AVPR1B (0.56) AVPR1BAVPR1A
SCHEMBL2457049 0.82 AVPR1B (0.42) AVPR1BGHSRKDM4EMEN1ALDH1A1
SCHEMBL2456382 0.82 AVPR1B (0.57) AVPR1BAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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 (1 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885AKR1B10 765/4885GHSR 3804/4885

“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.