SCHEMBL4368192

SCHEMBL4368192

Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)C3)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 3/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PRKACA P17612 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39

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
SCHEMBL4361810 0.91 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4362064 0.86 ADRB1 (0.41) OPRM1OPRD1OPRK1HRH3DAPK3
SCHEMBL4362202 0.82 HSPB1 (0.47) KDM4EMEN1KMT2AALDH1A1OPRM1
SCHEMBL4369026 0.80 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4370690 0.78 SLC8A1 (0.53)
SCHEMBL4360163 0.78 SLC8A1 (0.61)
SCHEMBL4360660 0.77 HRH3 (0.47) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL4366857 0.77 HRH3 (0.42) KDM4EMEN1KMT2AALDH1A1BRCA1
Hydrochloric Acid SCHEMBL4370697 0.77 SLC8A1 (0.60)
SCHEMBL4368977 0.76 LIPE (0.42) KDM4EPOLBOPRM1OPRD1OPRK1

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-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 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 (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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU KDM4E 1769/4885MEN1 1596/4885KMT2A 4533/4885

“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.