SCHEMBL10040592

SCHEMBL10040592

Cc1cc(C)c(OC(=O)N2CCC(c3noc(-c4cc(F)ccc4F)n3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
APLNR P35414 1/20 0.37
SMO Q99835 1/20 0.37
CPT1A P50416 1/20 0.37
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
S1PR1 P21453 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALK Q9UM73 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PRCP P42785 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
SCHEMBL10040581 0.93 ACKR3 (0.41) KCNH2APLNRSMOCPT1AHCRTR1
SCHEMBL10040565 0.89 SMN1; SMN2 (0.44) SMONPC1RAB9ASMN1; SMN2
SCHEMBL10040586 0.87 KDM4E (0.41) USP30NPC1RAB9ASMN1; SMN2
SCHEMBL10040589 0.87 KCNH2 (0.40) KCNH2APLNRCPT1AHCRTR1HCRTR2
SCHEMBL10040591 0.86 KCNH2 (0.40) KCNH2SMOHCRTR1HCRTR2NPC1
SCHEMBL10040582 0.86 USP7 (0.38) SMOUSP30NPC1RAB9ASMN1; SMN2
SCHEMBL10040590 0.85 HCRTR1 (0.42) KCNH2SMOCPT1AHCRTR1HCRTR2
SCHEMBL10040570 0.80 FAAH (0.39) KCNH2APLNRCPT1AHCRTR1HCRTR2
SCHEMBL13513893 0.79 SMO (0.33) SMOCPT1AUSP30SMN1; SMN2
SCHEMBL10040580 0.79 RAB9A (0.40) KCNH2SMOHCRTR1HCRTR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KCNH2 140/4885APLNR 923/4885SMO 3339/4885

“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.