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SCHEMBL2004777

SCHEMBL2004777

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccnnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL2003269 0.94 FAAH (0.38) TP53RXFP1LMNASMN1; SMN2KDM4E
SCHEMBL1998393 0.91 TP53 (0.47) TP53RXFP1LMNASMN1; SMN2MEN1
SCHEMBL2004459 0.91 PLA2G2A (0.38) TP53LMNASMN1; SMN2MEN1MAPK1
SCHEMBL2000496 0.90 FAAH (0.42) TP53RXFP1LMNASMN1; SMN2MEN1
SCHEMBL2003553 0.90 GSK3B (0.42) TP53RXFP1LMNASMN1; SMN2MAPK1
SCHEMBL2004990 0.90 MAPT (0.41) TP53LMNASMN1; SMN2KDM4EMEN1
SCHEMBL2003213 0.89 MAPT (0.40) TP53RXFP1LMNASMN1; SMN2MAPK1
SCHEMBL2004856 0.87 LMNA (0.38) TP53RXFP1LMNASMN1; SMN2KDM4E
SCHEMBL2002875 0.86 LMNA (0.35) TP53LMNASMN1; SMN2MEN1MAPK1
SCHEMBL2004477 0.85 LMNA (0.41) TP53LMNASMN1; SMN2MEN1MAPK1

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 10 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
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 TP53 2579/4885RXFP1 377/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT TP53 4264/4885RXFP1 1724/4885LMNA 4536/4885

“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.