SCHEMBL15816665

SCHEMBL15816665

NCCN1C(=O)S/C(=C\c2ccccc2O)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.67
▸ MAOB P27338 4/20 0.67
▸ CISD1 Q9NZ45 2/20 0.67
▸ MAPK1 P28482 3/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MITF O75030 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ NSD2 O96028 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ DDX3X O00571 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15816669 1.00 MAOA (0.67) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL15816667 1.00 MAOA (0.67) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL13401689 0.81 AKR1B1 (0.71) KMT2AMEN1MAPTAKR1B1
SCHEMBL20534585 0.81 AKR1B1 (0.71) KMT2AMEN1MAPTAKR1B1
SCHEMBL13851456 0.81 AKR1B1 (0.71) KMT2AMEN1MAPTAKR1B1
SCHEMBL15816744 0.80 MAOA (0.69) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL15816745 0.80 MAOA (0.69) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL15816747 0.80 MAOA (0.69) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL28814823 0.80 MEN1 (0.49) MAOAMAOBCISD1MAPK1KMT2A
SCHEMBL28814821 0.80 MEN1 (0.49) MAOAMAOBCISD1MAPK1KMT2A

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-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 MAOA 4054/4885MAOB 3865/4885CISD1 3411/4885

“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