SCHEMBL4093763

SCHEMBL4093763

O=C(Nc1ccncn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX2 P34913 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL4093988 0.93 EPHX2 (0.36) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL4090374 0.91 LMNA (0.43) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL4094085 0.90 L3MBTL1 (0.37) LMNAMAPTALDH1A1ALOX12EPHX2
SCHEMBL4091230 0.90 FAAH (0.43) LMNAMAPTALDH1A1EPHX2SMN1; SMN2
SCHEMBL4090012 0.89 TUBB4A (0.44) LMNAALDH1A1HIF1ATUBB4ATUBB
SCHEMBL3005775 0.89 LMNA (0.44) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL3000883 0.88 TUBB4A (0.48) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL4094189 0.87 PLA2G2A (0.41) LMNAMAPTALDH1A1TSHRCYP1A2
SCHEMBL4098290 0.87 LMNA (0.44) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL4083416 0.87 F2RL3 (0.35) LMNAMAPTALDH1A1EPHX2SMN1; SMN2

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.