SCHEMBL10040545

SCHEMBL10040545

Cc1ncccc1OC(=O)N1CCC(c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
HDAC3 O15379 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.46
HSD11B1 P28845 1/20 0.46
TNKS O95271 5/20 0.45
PARP1 P09874 5/20 0.45
PARP2 Q9UGN5 5/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMO Q99835 1/20 0.42

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
SCHEMBL10040553 0.92 MAPT (0.51) TP53HDAC3CYP2C9HDAC1HDAC6
SCHEMBL10040543 0.82 MAPT (0.52) TP53HDAC3CYP2C9HDAC1HDAC6
SCHEMBL10040648 0.82 SPR (0.43) GAAKDM4EALDH1A1SMO
SCHEMBL10040547 0.82 SMO (0.56) HSD11B1NPC1RAB9ASMN1; SMN2SMO
SCHEMBL1652071 0.80 ALDH1A1 (0.51) HDAC3CYP2C9HDAC1HDAC6MAPT
SCHEMBL10040554 0.79 MAPT (0.49) TP53HDAC3CYP2C9HDAC1HDAC6
SCHEMBL440844 0.78 SMN1; SMN2 (0.65) TP53HDAC3CYP2C9HDAC1HDAC6
SCHEMBL5633461 0.77 HDAC3 (0.62) TP53HDAC3CYP2C9HDAC1HDAC6
SCHEMBL1653357 0.77 TP53 (0.46) TP53MAPTPOLBNPC1RAB9A
SCHEMBL10040514 0.76 GPR119 (0.47) CYP2C9MAPTGAAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 TP53 4817/4885HDAC3 379/4885CYP2C9 359/4885

“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.