SCHEMBL5208205

SCHEMBL5208205

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TNKS O95271 1/20 0.40
CNR2 P34972 1/20 0.39
CETP P11597 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5211421 0.96 TNKS (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5215192 0.93 PIN1 (0.43) MAPTPOLBTNKSCETP
SCHEMBL5210803 0.91 AURKA (0.43) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5207954 0.90 RAB9A (0.42) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL5211745 0.89 MAPT (0.41) TP53MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5211475 0.89 MAPT (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5208761 0.89 POLB (0.44) MAPTPOLBLMNATNKSCETP
SCHEMBL5210100 0.89 PTGDR2 (0.40) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5212587 0.89 THRB (0.50) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL5212224 0.89 MAPT (0.43) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 TP53 4375/4885MAPT 3958/4885ALDH1A1 1651/4885

“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.