SCHEMBL2006415

SCHEMBL2006415

O=C(c1nnc(-c2ccccc2)o1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
NPSR1 Q6W5P4 8/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL2005317 0.94 MAPK1 (0.53) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2005693 0.91 MAPT (0.44) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2009446 0.90 MAPT (0.42) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2005849 0.89 MAPT (0.44) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2003094 0.89 MAPT (0.46) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2005459 0.89 LMNA (0.47) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL2008041 0.87 MAPT (0.45) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2009463 0.87 NPSR1 (0.59) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL2001125 0.87 MAPT (0.44) MAPTNPSR1ALDH1A1KDM4EGAA
SCHEMBL1999349 0.85 MAPT (0.43) MAPTNPSR1ALDH1A1KDM4EGAA

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
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 997/4885NPSR1 60/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885NPSR1 114/4885ALDH1A1 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.