SCHEMBL2996189

SCHEMBL2996189

O=C(Nc1ncccn1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 3/20 0.39
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4375846 0.95 FAAH (0.46) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3007840 0.94 TSHR (0.42) ALDH1A1LMNAMAPTALOX12TSHR
SCHEMBL3007020 0.90 L3MBTL1 (0.44) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3001437 0.90 FAAH (0.49) ALDH1A1LMNAMAPTALOX12TSHR
SCHEMBL3010950 0.89 LMNA (0.47) ALDH1A1LMNAMAPTALOX12TSHR
SCHEMBL4099718 0.88 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3010075 0.88 FAAH (0.48) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2992546 0.87 PLA2G2A (0.43) ALDH1A1LMNAMAPTTSHRMEN1
SCHEMBL3005180 0.87 JAK2 (0.42) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3001645 0.87 LMNA (0.40) ALDH1A1LMNAMAPTALOX12TSHR

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 4 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 L3MBTL1 2079/4885ALDH1A1 1229/4885LMNA 3450/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 L3MBTL1 2963/4885ALDH1A1 648/4885LMNA 4089/4885

“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.