SCHEMBL6134410

SCHEMBL6134410

CCCCC1(OC)CCN(c2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CSNK2A2 P19784 4/20 0.39
CSNK2A1 P68400 4/20 0.39
USP2 O75604 1/20 0.38
GRM2 Q14416 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ATM Q13315 1/20 0.37
CHKA P35790 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 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
SCHEMBL6689980 0.91 CSNK2A2 (0.46) CSNK2A2CSNK2A1USP2
SCHEMBL6134391 0.86 CHKA (0.36) ALDH1A1USP2SMN1; SMN2HPGDMAPT
SCHEMBL6134615 0.83 HDAC3 (0.48) ALDH1A1GRM2SMN1; SMN2HPGDMAPT
SCHEMBL6134072 0.81 SIRT2 (0.39) MAPTKMT2AMEN1LMNA
SCHEMBL6134196 0.80 HTT (0.46) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL6688934 0.79 RARB (0.43) CSNK2A2CSNK2A1SMN1; SMN2NPC1RAB9A
SCHEMBL6134891 0.79 USP2 (0.46) ALDH1A1USP2SMN1; SMN2HPGDMAPT
SCHEMBL7339724 0.79 ALDH1A1 (0.52) ALDH1A1USP2SMN1; SMN2MAPTKMT2A
SCHEMBL6135251 0.79 ALDH1A1 (0.45) ALDH1A1USP2SMN1; SMN2HPGDMAPT
SCHEMBL6134697 0.78 CSNK2A2 (0.43) ALDH1A1CSNK2A2CSNK2A1USP2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004113368-A1 CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2004-12-29 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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals MAN2B1, MAN2A1, MANBA ALDH1A1 1951/4885CSNK2A2 4065/4885CSNK2A1 3757/4885

“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.