SCHEMBL3012007

SCHEMBL3012007

O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
CNR2 P34972 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
C5AR1 P21730 1/20 0.38
EPHX2 P34913 2/20 0.38
MDM2 Q00987 1/20 0.38
RAB9A P51151 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
SCHEMBL2998758 0.99 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3002026 0.97 MAPT (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4540968 0.96 MAPT (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3001744 0.95 SIGMAR1 (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2994678 0.95 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3004793 0.94 MAPT (0.42) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4373711 0.94 CNR2 (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3004064 0.94 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4380878 0.93 LMNA (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3005818 0.93 MAPT (0.41) ALDH1A1MAPTLMNAKMT2AMEN1

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 ALDH1A1 1229/4885MAPT 997/4885LMNA 3450/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 ALDH1A1 648/4885MAPT 2737/4885LMNA 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.