SCHEMBL2996435

SCHEMBL2996435

O=C(Nc1ccccc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 2/20 0.45
LMNA P02545 2/20 0.45
PPARG P37231 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
EGFR P00533 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR2 P41597 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3005762 0.94 MEN1 (0.49) PLA2G4AMAPTALDH1A1ALOX12LMNA
SCHEMBL3001563 0.94 ALDH1A1 (0.50) MAPTALDH1A1ALOX12LMNAPPARG
SCHEMBL3004050 0.94 CNR1 (0.46) PLA2G4AMAPTALDH1A1ALOX12LMNA
SCHEMBL2994451 0.93 FAAH (0.48) PLA2G4AMAPTALDH1A1ALOX12LMNA
SCHEMBL3006058 0.93 THRB (0.45) PLA2G4AMAPTALDH1A1ALOX12LMNA
SCHEMBL3001524 0.91 PLA2G2A (0.46) PLA2G4AMAPTALDH1A1LMNACYP1A2
SCHEMBL3006234 0.90 JAK2 (0.46) PLA2G4AMAPTALDH1A1ALOX12LMNA
SCHEMBL4094097 0.89 LMNA (0.50) MAPTALDH1A1ALOX12LMNACYP1A2
SCHEMBL3010596 0.89 MEN1 (0.43) PLA2G4AMAPTALDH1A1LMNANCOA3
SCHEMBL3010021 0.88 MEN1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A

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
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
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PLA2G4A 1260/4885MAPT 997/4885ALDH1A1 1229/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G4A 86/4885MAPT 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.