SCHEMBL12963043

SCHEMBL12963043

CCc1cc(Cl)c(C=O)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CXCR3 P49682 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMO Q99835 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37

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
SCHEMBL12962921 0.90 LMNA (0.41) LMNAMEN1KMT2ACXCR3NPC1
SCHEMBL10314639 0.85 LMNA (0.56) LMNAMEN1KMT2ACXCR3NPC1
SCHEMBL10314572 0.85 LMNA (0.47) LMNAMEN1KMT2ACXCR3NPC1
SCHEMBL1062513 0.79 KMT2A (0.51) LMNAMEN1KMT2ACXCR3NPC1
SCHEMBL10314630 0.75 LMNA (0.45) LMNAMEN1KMT2ACXCR3NPC1
SCHEMBL27836507 0.75 IDO1 (0.46) MEN1KMT2ACXCR3MAPTALDH1A1
SCHEMBL10314564 0.74 SMO (0.44) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL10314562 0.72 SMO (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL10004552 0.71 SMO (0.47) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL10314550 0.71 SMO (0.49) LMNAMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 LMNA 4534/4885MEN1 1922/4885KMT2A 453/4885

“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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