SCHEMBL11990835

SCHEMBL11990835

CCc1nc2c(c(OC(C)C)c(C(=O)Nc3ccc(F)cc3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PDE6D O43924 1/20 0.39
▸ P2RX3 P56373 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGER3 P43115 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL10292839 0.93 PTGES (0.46) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10003686 0.93 PTGES (0.48) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10292840 0.92 PTGES (0.43) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL11990834 0.90 PTGES (0.46) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10292461 0.88 KMT2A (0.43) PTGESKMT2AMAPTALDH1A1GAA
SCHEMBL10292550 0.86 KMT2A (0.43) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10004586 0.86 KMT2A (0.48) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10292542 0.86 KMT2A (0.44) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL11990855 0.85 KMT2A (0.47) PTGESKMT2AMAPTTP53ALDH1A1
SCHEMBL10292545 0.85 KMT2A (0.43) PTGESKMT2AMAPTTP53ALDH1A1

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-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

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 PTGES 1468/4885KMT2A 423/4885MAPT 4783/4885

“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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