SCHEMBL3011987

SCHEMBL3011987

O=C(Nc1cccnc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 3/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
LMNA P02545 5/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 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
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SGMS2 Q8NHU3 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
SCHEMBL3010021 0.94 MEN1 (0.48) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3006596 0.90 MEN1 (0.45) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3010031 0.90 TUBB4A (0.52) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3006454 0.89 FAAH (0.48) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3001563 0.89 ALDH1A1 (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3006506 0.89 PDE4A (0.44) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL4379603 0.89 PDE4A (0.49) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL4087949 0.88 THRB (0.51) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3007872 0.88 PDE4A (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4094097 0.87 LMNA (0.50) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 3970/4885KMT2A 2233/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MEN1 4573/4885KMT2A 2103/4885MAPT 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.