SCHEMBL10292542

SCHEMBL10292542

CCc1nc2c(c(OC(C)C)c(C(=O)NC(C)CO)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ PTGES O14684 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TP53 P04637 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ P2RX3 P56373 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
SCHEMBL10292547 0.92 POLB (0.44) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10003686 0.88 PTGES (0.48) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10292517 0.88 TAS1R3 (0.43) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10004586 0.88 KMT2A (0.48) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10292996 0.88 KMT2A (0.42) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL11990823 0.88 KMT2A (0.42) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL11990855 0.87 KMT2A (0.47) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL11990856 0.87 KMT2A (0.43) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10292840 0.87 PTGES (0.43) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL10292545 0.87 KMT2A (0.43) KMT2APTGESPOLBALDH1A1TP53

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
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
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 423/4885PTGES 1468/4885POLB 4723/4885

“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.

Send feedback