SCHEMBL2275779

SCHEMBL2275779

O=C(O)c1cccc(Cc2ccc3[nH]ccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
ENPP2 Q13822 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
FOLH1 Q04609 1/20 0.47
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
PLA2G2A P14555 1/20 0.46
MAPK14 Q16539 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL2277951 0.89 KDM4E (0.62) CTNNB1WNT3AENPP2KDM4EALDH1A1
SCHEMBL16741873 0.87 ENPP2 (0.54) CTNNB1WNT3AENPP2KDM4EALDH1A1
SCHEMBL2272259 0.84 LOXL2 (0.52) CTNNB1WNT3AENPP2NPC1MAPT
SCHEMBL18941260 0.83 NPC1 (0.63) CTNNB1WNT3ANPC1MAPTRAB9A
SCHEMBL8604113 0.81 CYP17A1 (0.55) CTNNB1WNT3AENPP2KDM4ECA1
SCHEMBL30030142 0.81 CYP17A1 (0.55) CTNNB1WNT3AENPP2KDM4ECA1
SCHEMBL30791058 0.79 FOLH1 (0.70) CA1CA2CA9FOLH1PLA2G2A
SCHEMBL70351 0.79 FOLH1 (0.70) CA1CA2CA9FOLH1PLA2G2A
SCHEMBL18941141 0.78 NPC1 (0.63) NPC1MAPTRAB9A
SCHEMBL18966712 0.78 MAPT (0.52) KDM4EALDH1A1HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US claimed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US claimed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 CTNNB1 2019/4885WNT3A 3605/4885ENPP2 664/4885
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS CTNNB1 4379/4885WNT3A 2299/4885ENPP2 4242/4885

“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.