SCHEMBL3002008

SCHEMBL3002008

O=C(NC1CCCC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
ALOX12 P18054 2/20 0.47
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL3009940 0.99 LMNA (0.46) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL3008504 0.98 LMNA (0.47) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL4378256 0.97 LMNA (0.45) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL3001380 0.96 LMNA (0.48) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL2995773 0.92 ALDH1A1 (0.46) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL2998712 0.91 ALDH1A1 (0.47) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL3005711 0.90 LMNA (0.43) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL4089843 0.90 MAPT (0.47) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL3002533 0.89 MAPT (0.43) LMNAALDH1A1MAPTALOX12SIGMAR1
SCHEMBL2996664 0.88 LMNA (0.43) LMNAALDH1A1MAPTALOX12SIGMAR1

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 LMNA 3450/4885ALDH1A1 1229/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885ALDH1A1 648/4885MAPT 2737/4885

“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.