SCHEMBL6489780

SCHEMBL6489780

Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc(N(CCc3csc(NC(=O)OC(C)(C)C)n3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
SMO Q99835 7/20 0.37
SIRT1 Q96EB6 1/20 0.36
LCK P06239 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MTTP P55157 8/20 0.35
KDM4E B2RXH2 1/20 0.35
STAT1 P42224 1/20 0.35
APOB P04114 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SREBF2 Q12772 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
SCHEMBL6501137 0.95 PDE5A (0.39) PDE5APDE1APDE1BPDE1CSMO
SCHEMBL6489412 0.93 SMO (0.45) SMOMTTPAPOB
SCHEMBL6501450 0.91 NPC1 (0.43) SMONPC1RAB9AMTTPKDM4E
SCHEMBL6795163 0.90 KMT2A (0.38) SIRT1NPC1RAB9AKDM4ESTAT1
SCHEMBL6497778 0.87 SREBF2 (0.38) SIRT1LCKCYP1A2CYP3A4CYP2D6
SCHEMBL6491615 0.87 SREBF2 (0.39) SIRT1LCKNPC1RAB9AMTTP
SCHEMBL6488574 0.85 TP53 (0.45) SMOMTTPKDM4EAPOB
SCHEMBL6794499 0.84 CYP3A4 (0.40) SIRT1NPC1RAB9AMTTPKDM4E
SCHEMBL6488366 0.84 SMO (0.47) SMOMTTPAPOB
SCHEMBL6490015 0.83 GCGR (0.41) PDE5ALCKCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 PDE5A 3625/4885PDE1A 1259/4885PDE1B 991/4885

“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.