SCHEMBL2000914

SCHEMBL2000914

O=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK10 P53779 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2007801 0.92 FAAH (0.38) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2001282 0.91 FAAH (0.42) FAAH
SCHEMBL2003449 0.90 LMNA (0.38) FAAHALDH1A1MEN1LMNAKMT2A
SCHEMBL2012375 0.90 FAAH (0.37) FAAHALDH1A1KDM4EMEN1LMNA
SCHEMBL2005283 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL2000979 0.89 FAAH (0.45) FAAHALDH1A1KDM4EMEN1USP2
SCHEMBL2006590 0.89 FAAH (0.40) FAAHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2002764 0.87 PTGES2 (0.36) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL2008885 0.87 LMNA (0.41) FAAHALDH1A1KDM4EMEN1LMNA
SCHEMBL2002147 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1USP2LMNA

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 FAAH 1/4885ALDH1A1 178/4885KDM4E 2232/4885

“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.