SCHEMBL4094097

SCHEMBL4094097

O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.50
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR1 P21554 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43

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
SCHEMBL3001563 0.96 ALDH1A1 (0.50) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL3010031 0.92 TUBB4A (0.52) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL4087949 0.92 THRB (0.51) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL3004050 0.91 CNR1 (0.46) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL4100737 0.91 MAPT (0.49) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2996435 0.89 PLA2G4A (0.46) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL4094004 0.88 L3MBTL1 (0.44) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL3011987 0.87 MEN1 (0.47) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL3006423 0.87 LMNA (0.45) LMNAMAPTALDH1A1ALOX12GAA
SCHEMBL3001761 0.87 LMNA (0.46) LMNAMAPTALDH1A1ALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885MAPT 2737/4885ALDH1A1 648/4885

“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.