SCHEMBL418017

SCHEMBL418017

Nc1c(O)ccc2ccc(O)c(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 3/20 0.33

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
Hydrochloric Acid SCHEMBL417615 0.97 PTPN22 (0.37) PIM1CDK2MEN1KMT2AGAA
SCHEMBL10054265 0.86 CDK2 (0.31) CDK2
SCHEMBL5374043 0.81 CDK2 (0.42) CDK2MEN1KMT2AGAAG6PD
SCHEMBL9350116 0.79 PTPN22 (0.54) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL29689091 0.77 ALOX15 (0.42) PIM1MEN1KMT2AG6PDCASP7
SCHEMBL7855237 0.77 ALOX15 (0.42) PIM1MEN1KMT2AG6PDCASP7
Hydrochloric Acid SCHEMBL28756357 0.74 ALOX15 (0.40) PIM1MEN1KMT2AGAAG6PD
Hydrochloric Acid SCHEMBL28281094 0.74 ALOX15 (0.40) PIM1MEN1KMT2AGAAG6PD
SCHEMBL9833459 0.72 PLAU (0.40) GAAALDH1A1MAPK1LMNAALOX15
SCHEMBL3885875 0.72 GAA (0.37) PIM1MEN1KMT2AGAAG6PD

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-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
EP-2399918-A1 RING COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-12-28 EP 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-20120021897-A1 RING COMPOUND NR4A2, NR4A1, NR0B1 PIM1 4536/4885CDK2 557/4885MEN1 1961/4885

“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.