SCHEMBL5211686

SCHEMBL5211686

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 3/20 0.39
MAPT P10636 2/20 0.38
ENPP2 Q13822 2/20 0.38
TP53 P04637 2/20 0.38
BRD4 O60885 1/20 0.36
HTT P42858 1/20 0.36
NAMPT P43490 1/20 0.36
PIK3CA P42336 1/20 0.36
P2RX7 Q99572 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5211863 0.96 CNR1 (0.42) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5207508 0.95 ALDH1A1 (0.46) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5209717 0.94 BRD4 (0.43) ALDH1A1LMNAMAPTTP53BRD4
SCHEMBL5210428 0.92 ENPP2 (0.45) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5211711 0.89 CNR1 (0.38) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5206683 0.88 ENPP2 (0.40) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5210908 0.88 PKM (0.42) LMNACNR1MAPTTP53
SCHEMBL5209795 0.88 ASAH1 (0.38) ALDH1A1LMNAMAPTENPP2TP53
SCHEMBL5212667 0.87 SMN1; SMN2 (0.38) ALDH1A1LMNACNR1MAPTENPP2
SCHEMBL5209979 0.87 CNR1 (0.39) ALDH1A1LMNACNR1MAPTENPP2

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
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALDH1A1 1651/4885LMNA 4253/4885CNR1 193/4885

“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.