Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999996

SCHEMBL1999996

SCHEMBL1999996

Cc1c(C(=O)c2nnc(-c3cnccn3)o2)c2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ PTGES2 Q9H7Z7 2/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TERT O14746 2/20 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
SCHEMBL1998549 0.92 ALDH1A1 (0.39) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2000438 0.91 FAAH (0.49) KDM4EALDH1A1MAPTLMNAPTGES2
SCHEMBL2007109 0.90 LMNA (0.44) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2002895 0.89 PIEZO1 (0.41) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2010857 0.88 ALDH1A1 (0.49) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL1999889 0.88 LMNA (0.42) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2003170 0.86 RAB9A (0.45) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2011977 0.86 LMNA (0.45) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2002193 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL2002954 0.85 LMNA (0.54) KDM4EALDH1A1MAPTLMNAMITF

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 KDM4E 2243/4885ALDH1A1 1229/4885MAPT 997/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885ALDH1A1 178/4885MAPT 3753/4885

“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.