SCHEMBL4088892

SCHEMBL4088892

O=C(Nc1ncccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
FAAH O00519 1/20 0.38
VDR P11473 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL4099718 0.95 L3MBTL1 (0.41) EPHX2TSHRLMNAALDH1A1MAPT
SCHEMBL4090027 0.94 FAAH (0.46) EPHX2TSHRLMNAALDH1A1MAPT
SCHEMBL4098290 0.94 LMNA (0.44) EPHX2TSHRLMNAALDH1A1MAPT
SCHEMBL4095857 0.92 PLA2G2A (0.42) EPHX2MAPTFAAH
SCHEMBL4099175 0.91 ALOX5AP (0.38) EPHX2LMNAALDH1A1MAPTMEN1
SCHEMBL4089089 0.90 NPC1 (0.41) EPHX2TSHRLMNAALDH1A1MAPT
SCHEMBL3010601 0.90 FAAH (0.47) TSHRALDH1A1MAPTALOX12NPSR1
SCHEMBL4386508 0.88 PLA2G2A (0.40) LMNAFAAHSMN1; SMN2
SCHEMBL3007840 0.88 TSHR (0.42) EPHX2TSHRLMNAALDH1A1MAPT
SCHEMBL3008471 0.87 TYK2 (0.42) EPHX2LMNAALDH1A1MAPTALOX12

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 4 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
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 EPHX2 254/4885TSHR 3365/4885LMNA 4089/4885

“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.