SCHEMBL5212224

SCHEMBL5212224

CN(C)c1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.41
TNKS O95271 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ORAI1 Q96D31 1/20 0.39
MCL1 Q07820 3/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL5215720 0.95 MAPT (0.40) MAPTALDH1A1GFERPOLBTNKS
SCHEMBL5211421 0.93 TNKS (0.42) MAPTALDH1A1POLBTNKSRXFP1
SCHEMBL5215192 0.91 PIN1 (0.43) MAPTPOLBTNKSCNR1
SCHEMBL5207954 0.89 RAB9A (0.42) MAPTALDH1A1POLBTNKSRXFP1
SCHEMBL5208205 0.89 TP53 (0.42) MAPTALDH1A1POLBTNKSRXFP1
SCHEMBL5212283 0.89 NUDT1 (0.40) MAPTALDH1A1POLBTNKSRXFP1
SCHEMBL5213638 0.89 ENPP2 (0.42) MAPTALDH1A1SMN1; SMN2THRBL3MBTL1
SCHEMBL5212587 0.89 THRB (0.50) MAPTALDH1A1RXFP1SMN1; SMN2THRB
SCHEMBL5211745 0.89 MAPT (0.41) MAPTALDH1A1POLBTNKSRXFP1
SCHEMBL5211475 0.89 MAPT (0.41) MAPTALDH1A1POLBTNKSRXFP1

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 MAPT 3958/4885ALDH1A1 1651/4885GFER 63/4885

“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.