SCHEMBL4897438

SCHEMBL4897438

O=C(NCc1cccc(Cl)c1)c1ccc(-c2cccc(O)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 1/20 0.64
S1PR4 O95977 1/20 0.56
LMNA P02545 6/20 0.55
TP53 P04637 3/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.51
SLC9A1 P19634 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL4896955 0.95 ALDH1A1 (0.67) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL4893613 0.91 ALDH1A1 (0.55) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL20764223 0.90 ALDH1A1 (0.60) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL4896863 0.88 ALDH1A1 (0.69) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL4893495 0.83 ALDH1A1 (0.61) ALDH1A1RAB9ALMNATP53KDM4E
SCHEMBL4895912 0.80 ALDH1A1 (0.65) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL4896467 0.79 ALDH1A1 (0.62) ALDH1A1RAB9AS1PR4LMNATP53
SCHEMBL13559331 0.79 ALDH1A1 (0.48) ALDH1A1RAB9AS1PR4LMNAKDM4E
SCHEMBL4897032 0.78 HPGD (0.55) ALDH1A1RAB9ALMNATP53KDM4E
SCHEMBL29195048 0.78 ALDH1A1 (0.65) ALDH1A1RAB9AS1PR4LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 ALDH1A1 3961/4885RAB9A 4509/4885S1PR4 2025/4885

“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.