SCHEMBL4307233

SCHEMBL4307233

COc1ccc2nc(-c3ccc(CO)cc3)c(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.49
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 8/20 0.47
CYP2E1 P05181 8/20 0.47
CYP3A4 P08684 8/20 0.47
CYP2C8 P10632 8/20 0.47
CYP2D6 P10635 8/20 0.47
CYP2C9 P11712 8/20 0.47
CYP2B6 P20813 8/20 0.47
CYP2C19 P33261 8/20 0.47

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
SCHEMBL4307803 0.89 CYP1A2 (0.51) SLC2A1ALDH1A1NPC1TP53HPGD
SCHEMBL29386273 0.83 RAB9A (0.66) ALDH1A1NPC1TP53HPGDSMN1; SMN2
SCHEMBL28437897 0.83 RAB9A (0.66) ALDH1A1NPC1TP53HPGDSMN1; SMN2
SCHEMBL4312658 0.82 PDE3B (0.45) SLC2A1ALDH1A1NPC1TP53HPGD
SCHEMBL4305121 0.80 CYP1A2 (0.50) ALDH1A1NPC1TP53HPGDSMN1; SMN2
SCHEMBL4312005 0.77 CYP1A2 (0.48) ALDH1A1NPC1TP53HPGDSMN1; SMN2
SCHEMBL4662315 0.77 PTGDR2 (0.40) ALDH1A1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL1905967 0.75 RAB9A (0.71) ALDH1A1NPC1TP53SMN1; SMN2MEN1
SCHEMBL30705213 0.75 RAB9A (0.71) ALDH1A1NPC1TP53SMN1; SMN2MEN1
SCHEMBL12635909 0.73 F10 (0.61) ALDH1A1NPC1TP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 CBFB 1648/4885SLC2A1 938/4885ALDH1A1 1707/4885

“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.