SCHEMBL2004795

SCHEMBL2004795

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
RORC P51449 2/20 0.31
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL2005302 0.95 L3MBTL1 (0.35) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2001446 0.95 FAAH (0.35) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2006087 0.94 LMNA (0.39) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2006911 0.93 PLA2G2A (0.37) MAPTLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL2006787 0.93 PTGES2 (0.36) MAPTALDH1A1ALOX12CYP3A4CYP2C9
SCHEMBL2006472 0.92 ALOX5AP (0.36) MAPTLMNAALOX5ALOX5AP
SCHEMBL2002525 0.90 LMNA (0.38) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2004748 0.90 CYP3A4 (0.37) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2006959 0.89 MAPT (0.36) MAPTLMNAALDH1A1ALOX12CYP3A4
SCHEMBL2003824 0.87 LMNA (0.33) MAPTLMNAALDH1A1ALOX12CYP3A4

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 MAPT 997/4885LMNA 3450/4885ALDH1A1 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.