Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999889

SCHEMBL1999889

SCHEMBL1999889

Cc1c(C(=O)c2nnc(-c3ccncn3)o2)c2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MITF O75030 1/20 0.42
▸ CNR2 P34972 3/20 0.41
▸ POLB P06746 2/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2002258 0.92 LMNA (0.39) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL2002542 0.91 FAAH (0.49) LMNAALDH1A1KDM4EMAPTMAPK1
SCHEMBL2007109 0.90 LMNA (0.44) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL2001843 0.89 LMNA (0.40) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL2006776 0.88 ALDH1A1 (0.49) LMNAALDH1A1KDM4EMAPTMAPK1
SCHEMBL16800120 0.88 CNR2 (0.43) LMNAALDH1A1KDM4EMAPTCNR2
SCHEMBL2002147 0.88 ALDH1A1 (0.37) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL1999996 0.88 KDM4E (0.42) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL2002954 0.87 LMNA (0.54) LMNAALDH1A1KDM4EMAPTMITF
SCHEMBL2011977 0.86 LMNA (0.45) LMNAALDH1A1KDM4EMAPTMITF

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 LMNA 3450/4885ALDH1A1 1229/4885KDM4E 2243/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885KDM4E 2232/4885

“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.