SCHEMBL4083926

SCHEMBL4083926

O=C(Nc1ccnc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMARCA2 P51531 4/20 0.41
SMARCA4 P51532 3/20 0.41
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL4100627 0.93 FAAH (0.45) LMNAALDH1A1MAPTALOX12SMARCA2
SCHEMBL4089223 0.92 FAAH (0.43) LMNAALDH1A1MAPTALOX12SMARCA2
SCHEMBL3000883 0.91 TUBB4A (0.48) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3000300 0.90 FAAH (0.43) LMNAALDH1A1MAPTALOX12SMARCA2
SCHEMBL4099212 0.90 FAAH (0.50) MAPTSMARCA2SMARCA4FAAHTUBB4A
SCHEMBL3004476 0.89 FAAH (0.53) SMARCA2SMARCA4FAAHEPHX2THRB
SCHEMBL3001227 0.89 THRB (0.47) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3006423 0.89 LMNA (0.45) LMNAALDH1A1MAPTALOX12SMARCA2
SCHEMBL4093752 0.89 LMNA (0.46) LMNAALDH1A1MAPTALOX12CYP1A2
SCHEMBL3001761 0.89 LMNA (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
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 4089/4885ALDH1A1 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.