SCHEMBL3100951

SCHEMBL3100951

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc(F)c(F)c3)CC2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
MGLL Q99685 4/20 0.46
HSD11B1 P28845 2/20 0.46
HSP90AA1 P07900 1/20 0.46
POLB P06746 1/20 0.46
SLC18A3 Q16572 3/20 0.45
MAPT P10636 1/20 0.43
PHGDH O43175 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL13157849 1.00 KMT2A (0.52) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL3098323 1.00 KMT2A (0.52) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL13157952 1.00 KMT2A (0.52) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL3104941 0.93 MGLL (0.45) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL13157762 0.93 MGLL (0.45) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL3107797 0.92 MGLL (0.46) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL13157845 0.92 MGLL (0.46) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL3107734 0.92 HSP90AA1 (0.45) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL13157853 0.92 HSP90AA1 (0.45) KMT2AMEN1MGLLHSD11B1HSP90AA1
SCHEMBL3097700 0.91 MGLL (0.45) KMT2AMEN1MGLLHSD11B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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 (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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 KMT2A 4425/4885MEN1 2336/4885MGLL 2345/4885

“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.