SCHEMBL2007457

SCHEMBL2007457

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cnccn3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIEZO1 Q92508 2/20 0.40
MAPT P10636 3/20 0.38
PTGER3 P43115 6/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
TERT O14746 1/20 0.35
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2010306 0.91 LMNA (0.40) PIEZO1MAPTPTGER3LMNAGAA
SCHEMBL2008768 0.90 MAPT (0.46) PIEZO1MAPTLMNASMN1; SMN2TP53
SCHEMBL2004594 0.90 MAPT (0.40) MAPTPTGER3LMNAGAASMN1; SMN2
SCHEMBL1999349 0.90 MAPT (0.43) PIEZO1MAPTLMNAGAASMN1; SMN2
SCHEMBL2000001 0.89 MAPT (0.38) MAPTPTGER3LMNAGAASMN1; SMN2
SCHEMBL2006078 0.87 MAPT (0.38) MAPTPTGER3LMNAGAASMN1; SMN2
SCHEMBL2002705 0.87 MAPK1 (0.46) MAPTPTGER3LMNAGAASMN1; SMN2
SCHEMBL2001543 0.87 MAPT (0.42) MAPTPTGER3LMNAGAASMN1; SMN2
SCHEMBL2010098 0.87 ALDH1A1 (0.41) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2003629 0.86 MAPT (0.39) MAPTPTGER3LMNAGAASMN1; SMN2

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 9 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-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 PIEZO1 3261/4885MAPT 997/4885PTGER3 95/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PIEZO1 4871/4885MAPT 3753/4885PTGER3 705/4885

“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.