SCHEMBL10292994

SCHEMBL10292994

CCc1nc2c(c(OC(C)C)c(C(=O)NCCCN(CCO)CCO)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ THRB P10828 2/20 0.37
▸ PTGES O14684 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PDPK1 O15530 1/20 0.35

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
SCHEMBL11990823 0.93 KMT2A (0.42) KMT2ATP53THRBPTGESPOLB
SCHEMBL10003777 0.91 KMT2A (0.41) KMT2ATP53THRBPTGESPOLB
SCHEMBL10292992 0.90 BRD4 (0.43) KMT2ATP53THRBPTGESPOLB
SCHEMBL10292459 0.85 CACNA1G (0.45) KMT2ATP53PTGESPOLBALDH1A1
SCHEMBL10292545 0.85 KMT2A (0.43) KMT2ATP53THRBPTGESPOLB
SCHEMBL11990856 0.85 KMT2A (0.43) KMT2ATP53THRBPTGESPOLB
SCHEMBL10292544 0.84 KMT2A (0.42) KMT2ATP53THRBPTGESPOLB
SCHEMBL10292542 0.84 KMT2A (0.44) KMT2ATP53PTGESPOLBALDH1A1
SCHEMBL10003686 0.83 PTGES (0.48) KMT2ATP53PTGESPOLBALDH1A1
SCHEMBL10292519 0.83 P2RX3 (0.39) KMT2ATP53PTGESPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KMT2A 423/4885TP53 43/4885THRB 2094/4885

“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.

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