SCHEMBL26099702

SCHEMBL26099702

COc1ccc(CNc2ccc(CNC(=O)[C@H]3CCCO3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
GAA P10253 1/20 0.70
HPGD P15428 5/20 0.65
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
FFAR1 O14842 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL26097816 1.00 ALDH1A1 (0.70) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL26101578 0.89 ALDH1A1 (0.74) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL26102571 0.89 ALDH1A1 (0.74) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL26099415 0.85 POLB (0.66) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL26100790 0.85 POLB (0.66) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL26100365 0.85 PKM (0.56) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL26100588 0.85 PKM (0.56) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL26102262 0.82 ALDH1A1 (0.67) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL26102668 0.82 ALDH1A1 (0.67) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL26098184 0.82 ALDH1A1 (0.70) ALDH1A1GAAMAPTMEN1KMT2A

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-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885GAA 2947/4885HPGD 355/4885

“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.