SCHEMBL6134747

SCHEMBL6134747

COC(=O)c1ccc(-c2nnc(-c3ccc(OC4CCN(c5ccccc5)CC4)cc3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 2/20 0.46
ACACB O00763 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
NAMPT P43490 1/20 0.43
FFAR1 O14842 1/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL6134838 0.92 USP2 (0.48) NPC1RAB9AKMT2AUSP2ACACB
SCHEMBL6135244 0.89 SRD5A1 (0.50) USP2ACACBFFAR4NAMPTFFAR1
SCHEMBL6135271 0.84 CSNK2A2 (0.53) NPC1RAB9AKMT2AUSP2ACACB
SCHEMBL6135055 0.83 ACACB (0.49) NPC1RAB9AKMT2AACACBFFAR4
SCHEMBL6134611 0.82 HDAC3 (0.51) NPC1RAB9AACACBFFAR4NAMPT
SCHEMBL6134697 0.80 CSNK2A2 (0.43) NPC1RAB9AKMT2AUSP2TSHR
SCHEMBL6135380 0.80 HDAC3 (0.60) NPC1RAB9AUSP2TSHRMAPT
SCHEMBL6379080 0.79 NOX1 (0.46) NPC1RAB9AKMT2AUSP2TSHR
SCHEMBL7339724 0.78 ALDH1A1 (0.52) NPC1RAB9AKMT2AUSP2TSHR
SCHEMBL6135024 0.78 CTSL (0.46) NPC1RAB9AKMT2AHTTMEN1

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 NPC1 1070/4885RAB9A 3326/4885KMT2A 4492/4885

“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.