SCHEMBL3004064

SCHEMBL3004064

O=C(NC1CCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 2/20 0.40
MEN1 O00255 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 2/20 0.38
CNR2 P34972 1/20 0.37
S1PR3 Q99500 1/20 0.37
C5AR1 P21730 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CCR2 P41597 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2994678 0.99 ALDH1A1 (0.41) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL2993316 0.98 L3MBTL1 (0.39) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3002054 0.96 L3MBTL1 (0.40) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL2998758 0.95 ALDH1A1 (0.42) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3012007 0.94 ALDH1A1 (0.44) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3002026 0.93 MAPT (0.40) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3001744 0.91 SIGMAR1 (0.40) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3005818 0.91 MAPT (0.41) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL4373711 0.90 CNR2 (0.41) ALDH1A1MAPTLMNAALOX12MEN1
SCHEMBL3004793 0.90 MAPT (0.42) ALDH1A1MAPTLMNAALOX12MEN1

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 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.