SCHEMBL2005302

SCHEMBL2005302

O=C(c1cnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
EPHX2 P34913 1/20 0.32
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL2004795 0.95 MAPT (0.34) MAPTALDH1A1LMNAALOX12EPHX2
SCHEMBL2005117 0.92 ALOX5AP (0.36) MAPTALDH1A1LMNAALOX12PDE4A
SCHEMBL2001446 0.92 FAAH (0.35) MAPTALDH1A1LMNAALOX12ALOX5
SCHEMBL2006087 0.92 LMNA (0.39) MAPTALDH1A1LMNAALOX12EPHX2
SCHEMBL1999915 0.90 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1LMNAALOX12
SCHEMBL2002564 0.90 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1LMNAALOX12
SCHEMBL2005712 0.90 L3MBTL1 (0.37) L3MBTL1MAPTALDH1A1LMNAALOX12
SCHEMBL2006911 0.90 PLA2G2A (0.37) MAPTALDH1A1LMNAALOX5ALOX5AP
SCHEMBL2006472 0.89 ALOX5AP (0.36) MAPTLMNAALOX5ALOX5AP
SCHEMBL2006787 0.88 PTGES2 (0.36) MAPTALDH1A1ALOX12ALOX5ALOX5AP

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 3 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-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

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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 L3MBTL1 2079/4885MAPT 997/4885ALDH1A1 1229/4885

“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.