SCHEMBL4093752

SCHEMBL4093752

O=C(Nc1ccccc1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
C5AR1 P21730 1/20 0.40

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
SCHEMBL3001761 0.96 LMNA (0.46) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3001227 0.94 THRB (0.47) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3002042 0.94 PLA2G4A (0.43) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3000883 0.93 TUBB4A (0.48) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL4378914 0.92 THRB (0.46) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3009423 0.91 MEN1 (0.46) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3006333 0.90 MAPT (0.43) LMNAALDH1A1MAPTALOX12SMN1; SMN2
SCHEMBL3006506 0.90 PDE4A (0.44) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL2995729 0.90 FAAH (0.45) LMNAALDH1A1MAPTALOX12EPHX2
SCHEMBL4083926 0.89 LMNA (0.41) LMNAALDH1A1MAPTALOX12CYP1A2

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
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

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 4089/4885ALDH1A1 648/4885MAPT 2737/4885

“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.