SCHEMBL5606436

SCHEMBL5606436

O=C1c2ccccc2C(=O)N1Cc1cc(OS(=O)(=O)C(F)(F)F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.40
CHRM1 P11229 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CASP3 P42574 3/20 0.40
CHRM5 P08912 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1B1 Q16678 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 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
SCHEMBL4411556 0.79 KMT2A (0.59) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL16422570 0.73 CASP3 (0.46) ALDH1A1MEN1PKMKMT2ACASP3
SCHEMBL17293770 0.72 MEN1 (0.64) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL15211966 0.72 MEN1 (0.64) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL4413578 0.72 KMT2A (0.64) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL29774137 0.72 MEN1 (0.64) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL4415374 0.71 HPGD (0.39) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL1059677 0.69 CASP3 (0.58) ALDH1A1KMT2AMAPTHSD17B10CASP3
SCHEMBL2959641 0.69 ALDH1A1 (1.00) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL30711693 0.69 ALDH1A1 (1.00) ALDH1A1MEN1PKMKMT2AMAPT

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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 2635/4885MEN1 3406/4885PKM 4448/4885

“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.