Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998549

SCHEMBL1998549

SCHEMBL1998549

O=C(c1nnc(-c2cnccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MITF O75030 1/20 0.39
▸ TERT O14746 2/20 0.39
▸ PTGES2 Q9H7Z7 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL1999996 0.92 KDM4E (0.42) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL1997685 0.90 FAAH (0.42) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2009994 0.89 PIEZO1 (0.41) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2002717 0.88 FAAH (0.44) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2002258 0.87 LMNA (0.39) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2003129 0.86 MEN1 (0.44) ALDH1A1LMNAMAPTPTGES2MAPK1
SCHEMBL1999932 0.86 RAB9A (0.46) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2002648 0.86 LMNA (0.42) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2005339 0.85 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EMAPTMITF
SCHEMBL2002436 0.85 LMNA (0.55) ALDH1A1LMNAKDM4EMAPTMITF

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