SCHEMBL2995899

SCHEMBL2995899

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.38
PTGS1 P23219 1/20 0.38
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1B1 P15121 1/20 0.35
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
USP2 O75604 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
SCHEMBL4392423 0.99 FAAH (0.46) FAAHPTGDR2PTGS1TP53MAPK1
SCHEMBL3001652 0.94 MAPK1 (0.38) FAAHTP53MAPK1LMNASMN1; SMN2
SCHEMBL2994841 0.90 L3MBTL1 (0.39) FAAHTP53MAPK1LMNASMN1; SMN2
SCHEMBL2161001 0.89 FAAH (0.57) FAAHPTGDR2PTGS1TP53HTT
SCHEMBL4091230 0.89 FAAH (0.43) FAAHPTGDR2PTGS1TP53MAPK1
SCHEMBL3010532 0.89 PLA2G2A (0.41) FAAHPTGDR2MAPK1LMNAALDH1A1
SCHEMBL3006567 0.89 FAAH (0.47) FAAHPTGDR2PTGS1TP53LMNA
SCHEMBL3005775 0.89 LMNA (0.44) FAAHTP53MAPK1LMNASMN1; SMN2
SCHEMBL3003714 0.88 FAAH (0.37) FAAHTP53MAPK1LMNASMN1; SMN2
SCHEMBL3003208 0.88 FAAH (0.53) FAAHTP53MAPK1LMNASMN1; SMN2

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 5 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 FAAH 109/4885PTGDR2 68/4885PTGS1 34/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PTGDR2 47/4885PTGS1 22/4885

“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.