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Sugi Predict / Compounds / SCHEMBL2006078

SCHEMBL2006078

SCHEMBL2006078

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ POLB P06746 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGER3 P43115 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ FAAH O00519 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
SCHEMBL2009446 0.91 MAPT (0.42) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL2004751 0.91 SMN1; SMN2 (0.41) MAPTALDH1A1HPGDRAB9AL3MBTL1
SCHEMBL2005693 0.90 MAPT (0.44) MAPTPOLBALDH1A1TSHRRAB9A
SCHEMBL2002705 0.90 MAPK1 (0.46) MAPTPOLBALDH1A1TSHRMAPK1
SCHEMBL2003356 0.90 MAPT (0.46) MAPTALDH1A1RAB9AL3MBTL1MAPK1
SCHEMBL2002362 0.90 MAPT (0.39) MAPTPOLBALDH1A1TSHRMAPK1
SCHEMBL2007457 0.87 PIEZO1 (0.40) MAPTPOLBALDH1A1PTGER3LMNA
SCHEMBL2001543 0.87 MAPT (0.42) MAPTPOLBALDH1A1PTGER3LMNA
SCHEMBL2001881 0.87 GSK3B (0.42) MAPTALDH1A1TSHRRAB9AL3MBTL1
SCHEMBL2003629 0.86 MAPT (0.39) MAPTPOLBALDH1A1PTGER3LMNA

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 MAPT 997/4885POLB 4404/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885POLB 3505/4885ALDH1A1 178/4885

“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.