SCHEMBL6134072

SCHEMBL6134072

CCCCC1(OC)CCN(c2ccc(-c3ncc(-c4ccc(C(=O)OCC)cc4)s3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.39
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
RARA P10276 2/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
SIRT1 Q96EB6 3/20 0.37
METAP1 P53582 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6688934 0.90 RARB (0.43) RARBRARGRARA
SCHEMBL6134106 0.86 ACVRL1 (0.34)
SCHEMBL6134196 0.85 HTT (0.46) SIRT2MAPTLMNAMEN1KMT2A
SCHEMBL6134935 0.84 ALDH1A1 (0.34)
SCHEMBL6134410 0.81 ALDH1A1 (0.41) MAPTLMNAMEN1KMT2A
SCHEMBL6689980 0.78 CSNK2A2 (0.46) RARBRARG
SCHEMBL6134696 0.76 CSNK1D (0.42) MAPTLMNAMEN1KMT2A
SCHEMBL15090456 0.75 CDC7 (0.53) RARBRARGRARACDC7DBF4
SCHEMBL6134891 0.74 USP2 (0.46) MAPT
SCHEMBL6134391 0.73 CHKA (0.36) MAPTLMNAHRH3

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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals MAN2B1, MAN2A1, MANBA SIRT2 3275/4885RARB 4482/4885RARG 4379/4885

“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.