SCHEMBL2003297

SCHEMBL2003297

O=C(c1cnc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 3/20 0.36
MAPK1 P28482 3/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP1 P29466 1/20 0.34
PDE4A P27815 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
SCHEMBL2004625 0.95 CYP2C9 (0.40) L3MBTL1CYP2C9CYP3A4LMNAMAPT
SCHEMBL2008306 0.92 L3MBTL1 (0.43) L3MBTL1CYP2C9CYP3A4LMNAMAPT
SCHEMBL2007363 0.91 ALOX5AP (0.40) LMNAMAPTALDH1A1ALOX12TSHR
SCHEMBL2002287 0.91 L3MBTL1 (0.39) L3MBTL1CYP2C9CYP3A4LMNAMAPT
SCHEMBL2012281 0.91 FAAH (0.38) CYP2C9CYP3A4LMNAMAPTALDH1A1
SCHEMBL2006426 0.91 LMNA (0.43) CYP2C9CYP3A4LMNAMAPTALDH1A1
SCHEMBL2002564 0.90 L3MBTL1 (0.36) L3MBTL1CYP2C9CYP3A4LMNAMAPT
SCHEMBL2005712 0.89 L3MBTL1 (0.37) L3MBTL1CYP2C9CYP3A4LMNAMAPT
SCHEMBL2003542 0.89 MAPT (0.39) CYP2C9CYP3A4LMNAMAPTALDH1A1
SCHEMBL2007346 0.88 ALOX5AP (0.39) CYP2C9CYP3A4LMNAMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 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 (1 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT L3MBTL1 3423/4885CYP2C9 608/4885CYP3A4 618/4885

“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.