SCHEMBL4583868

SCHEMBL4583868

S=C(Nc1cccc(Br)c1)NC1CCN(c2nncc3ccc(Br)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4582536 0.93 KMT2A (0.48) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL4582329 0.93 KMT2A (0.50) KMT2ALMNASMN1; SMN2PKMHPGD
SCHEMBL4584119 0.92 MAPK14 (0.44) KMT2ALMNASMN1; SMN2PKMRAB9A
SCHEMBL4584325 0.91 ALDH1A1 (0.39) KMT2ALMNASMN1; SMN2PKMRAB9A
SCHEMBL4584112 0.90 MAPT (0.44) KMT2ALMNARAB9AALDH1A1
SCHEMBL4583320 0.90 CCNC (0.40) KMT2AALDH1A1
SCHEMBL4582143 0.88 NPC1 (0.45) KMT2ALMNARAB9AMEN1ALDH1A1
SCHEMBL4582514 0.88 SMN1; SMN2 (0.46) KMT2ALMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL4727929 0.87 ALDH1A1 (0.39) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL4727782 0.87 RAB9A (0.43) KMT2ALMNARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 KMT2A 2513/4885LMNA 4575/4885SMN1; SMN2 4338/4885

“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.