SCHEMBL1160167

SCHEMBL1160167

O=c1ccc2ccc3occc3c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 3/20 0.47
NFKB1 P19838 2/20 0.47
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
FTO Q9C0B1 1/20 0.37
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL11842784 0.76 MAOA (0.42) MAOAMAOBNFKB1FTOMCL1
SCHEMBL23219216 0.73 MAOA (0.42) MAOAMAOBNFKB1FTOHTR2A
SCHEMBL29591435 0.73 MAOA (0.42) MAOAMAOBNFKB1FTOHTR2A
SCHEMBL30752490 0.70 DAO (0.46) MAOAMAOBNFKB1CA12CA9
SCHEMBL29871305 0.68 CA12 (0.57) CA12CA9MCL1CA1CA3
SCHEMBL237720 0.68 CA12 (0.57) CA12CA9MCL1CA1CA3
SCHEMBL4429415 0.67 PAX8 (0.48) MAOAMAOBNFKB1FTOHTR2A
Hydrochloric Acid SCHEMBL31179088 0.67 CA12 (0.55) CA12CA9MCL1CA1CA3
SCHEMBL30804611 0.67 CA12 (0.55) CA12CA9MCL1CA1CA3
SCHEMBL4063814 0.67 MAPT (0.41) MAOAMAOBNFKB1HTR2AHTR2C

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
CN-113372353-A Difluoroalkylated dihydrofuranoquinolinone derivative and preparation method thereof 哈尔滨工业大学 2021-09-10 CN disclosed
US-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2012-05-24 US disclosed
WO-2011013159-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2011-02-03 WO 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-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY PCNA, ERCC4, UBQLN2 MAOA 2639/4885MAOB 2686/4885NFKB1 685/4885

“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.