SCHEMBL2450877

SCHEMBL2450877

O=C(O)c1ccccc1C(=O)c1ncc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GLA P06280 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
AKR1C3 P42330 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
F2RL1 P55085 1/20 0.47
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CDC25B P30305 3/20 0.43
CDC25A P30304 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A1 P22736 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
SCHEMBL27805818 0.93 KMT2A (0.77) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL3462830 0.85 KMT2A (0.67) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL395690 0.81 KMT2A (0.67) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL653632 0.81 KMT2A (0.67) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL28358852 0.81 KMT2A (0.67) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL11816392 0.81 KMT2A (0.61) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL653441 0.80 RAB9A (0.69) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL7193170 0.79 KMT2A (0.63) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL1324 0.77 NPC1 (0.62) KMT2AHTTSMN1; SMN2GLANPC1
SCHEMBL8548846 0.76 KMT2A (0.60) KMT2AHTTSMN1; SMN2GLANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3968120-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US claimed
EP-1237891-B1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7330276-B2 Optical interference substrate, target detecting substrate, target detecting apparatus, and target detecting process FUJIFILM CORPORATION (JP) 2008-02-12 US disclosed
US-7330276-B2 Optical interference substrate, target detecting substrate, target detecting apparatus, and target detecting process FUJIFILM CORPORATION (JP) 2008-02-12 US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20040063687-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S (US) 2004-04-01 US disclosed
US-6706720-B2 TREATMENT OF ARRHYTHMIA; INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
US-20030022890-A1 Heterocyclic dihydropyrimidine compounds PEDESTRIAN CONCEPTS LLC 2003-01-30 US disclosed
EP-1237891-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-11 EP disclosed
WO-2001040231-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-07 WO disclosed
EP-0169164-B1 IMIDAZOLONECARBONYLARYLIMIDAZOLES; METHOD OF MANUFACTURE, METHOD OF USE AND COMPOSITIONS USEFUL THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-31 EP disclosed
US-3968120-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3968120-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3968120-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 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 (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-20040063687-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNH2, KCNH1 KMT2A 1466/4885HTT 1540/4885SMN1; SMN2 2636/4885
US-20030022890-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNH2, KCNH1 KMT2A 1466/4885HTT 1540/4885SMN1; SMN2 2636/4885
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNQ5, KCNQ2 KMT2A 1013/4885HTT 835/4885SMN1; SMN2 3285/4885

“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.