SCHEMBL2002181

SCHEMBL2002181

COc1ccc2c(c1)c(C(=O)c1cc(-c3ncccn3)ns1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.50
AHR P35869 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
POLB P06746 1/20 0.43
PLA2G2A P14555 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL2001659 0.88 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2004003 0.87 LMNA (0.45) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2006822 0.87 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2006378 0.87 LMNA (0.47) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002459 0.85 LMNA (0.52) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2003315 0.84 LMNA (0.52) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2003834 0.84 LMNA (0.55) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2002202 0.83 ALDH1A1 (0.52) LMNAALDH1A1MAPTPLA2G2AKMT2A
SCHEMBL2003398 0.83 LMNA (0.55) LMNAALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL2005437 0.82 LMNA (0.53) LMNAALDH1A1AHRMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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 (1 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885AHR 183/4885

“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.