SCHEMBL13223060

SCHEMBL13223060

COc1ccc2c(O[C@@H]3C[C@@H](C(=O)O)[C@@H](N(C)C(C)=O)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TACR3 P29371 8/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PLA2G2A P14555 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CTSB P07858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL5111300 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL5111530 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL5104795 0.84 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL13223061 0.84 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL5107752 0.84 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL14076822 0.83 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL1069117 0.79 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL1013614 0.79 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL1013638 0.79 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL4981224 0.78 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KDM4E 4021/4885SMN1; SMN2 877/4885ALDH1A1 135/4885

“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.

Send feedback