SCHEMBL3300655

SCHEMBL3300655

COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48

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
SCHEMBL6404742 0.89 LMNA (0.58) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6411772 0.88 MEN1 (0.60) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6404073 0.87 ALDH1A1 (0.63) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6402175 0.84 ALDH1A1 (0.60) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6403434 0.82 ALDH1A1 (0.63) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6405226 0.81 TP53 (0.56) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6408488 0.80 ALDH1A1 (0.70) ALPGCDC25ACDC25BALDH1A1HPGD
SCHEMBL6404543 0.80 MAPT (0.64) CDC25ACDC25BALDH1A1HPGDMEN1
SCHEMBL6404213 0.80 MEN1 (0.62) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6403977 0.79 LMNA (0.56) ALDH1A1HPGDMEN1KMT2ALMNA

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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH ALPG 3133/4885CDC25A 1757/4885CDC25B 1206/4885

“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.