SCHEMBL5212052

SCHEMBL5212052

CCC(CC)(c1ccc(NC(=O)CCc2oc(-n3nnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
TNKS O95271 2/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
F10 P00742 1/20 0.34
CETP P11597 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 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
SCHEMBL5212795 0.88 CNR2 (0.35) KMT2AMEN1TNKSRAB9ALMNA
SCHEMBL5207013 0.87 MAPT (0.39) ALDH1A1TNKSRAB9ALMNACNR2
SCHEMBL5212056 0.83 NPSR1 (0.39) NPSR1KMT2AALDH1A1MEN1TNKS
SCHEMBL5207374 0.83 LMNA (0.46) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL5207015 0.82 MAPT (0.41) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL5213773 0.82 PIK3CA (0.41) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL5208383 0.81 SMO (0.43) NPSR1KMT2AALDH1A1MEN1TNKS
SCHEMBL5212143 0.81 CD38 (0.37) NPSR1KMT2AALDH1A1MEN1LMNA
SCHEMBL5211936 0.81 MAPT (0.42) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL5212555 0.81 TNKS (0.38) ALDH1A1TNKSRAB9ALMNASMN1; SMN2

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 NPSR1 1548/4885KMT2A 680/4885ALDH1A1 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.