SCHEMBL803139

SCHEMBL803139

O=C1c2ccccc2C(=O)N1c1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
PDE10A Q9Y233 1/20 0.50
NPC1 O15118 1/20 0.45
SCN2A Q99250 5/20 0.44
PIM3 Q86V86 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1H3 Q13133 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL7679164 0.77 MAPT (0.50) PDE10ANPC1MAPTALDH1A1PKM
SCHEMBL7679159 0.77 MAPT (0.50) PDE10ANPC1MAPTALDH1A1PKM
SCHEMBL19370804 0.76 MEN1 (0.51) KMT2AMEN1SCN2APIM3HIPK4
SCHEMBL4198080 0.75 GPR84 (0.51) PDE10APOLBMAPTALDH1A1HSD17B10
SCHEMBL16720176 0.74 NPC1 (0.47) NPC1MAPTCA1CA2CYP1A2
SCHEMBL30354469 0.74 MAPT (0.46) KMT2APDE10ANPC1POLBMAPT
SCHEMBL27260727 0.74 MAPT (0.46) KMT2APDE10ANPC1POLBMAPT
SCHEMBL3347164 0.74 CDK8 (0.49) KMT2AMEN1
SCHEMBL7845678 0.74 HPGD (0.55) KMT2AMEN1PDE10ANPC1MAPT
SCHEMBL4649471 0.72 KMT2A (0.78) KMT2AMEN1SCN2AALDH1A1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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 (3 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-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 KMT2A 1433/4885MEN1 1255/4885PDE10A 2939/4885
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT KMT2A 1750/4885MEN1 4067/4885PDE10A 3748/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 KMT2A 1433/4885MEN1 1255/4885PDE10A 2939/4885

“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.