SCHEMBL6132464

SCHEMBL6132464

CCOC(=O)c1ccc(-c2nnc(-c3ccc(N4CCN(C5CCC(C)CC5)CC4)cc3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FDFT1 P37268 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 3/20 0.41
MAPT P10636 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
CALCA P06881 1/20 0.40
TSHR P16473 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL6132487 0.89 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AFDFT1
SCHEMBL6132519 0.89 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AFDFT1
SCHEMBL6132488 0.89 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AFDFT1
SCHEMBL6135370 0.86 USP2 (0.55) HRH3MEN1KMT2AITGB3ITGA2B
SCHEMBL6135376 0.86 USP2 (0.55) HRH3MEN1KMT2AITGB3ITGA2B
SCHEMBL63474 0.84 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AFDFT1
SCHEMBL6134154 0.82 HRH3 (0.44) ALDH1A1HRH3MEN1KMT2AITGB3
SCHEMBL6134157 0.82 HRH3 (0.44) ALDH1A1HRH3MEN1KMT2AITGB3
SCHEMBL6135132 0.81 HRH3 (0.56) ALDH1A1HRH3MEN1KMT2AMAPT
SCHEMBL6369256 0.80 ALDH1A1 (0.61) ALDH1A1POLBHRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 ALDH1A1 4718/4885POLB 1311/4885HRH3 2597/4885

“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.