SCHEMBL1999497

SCHEMBL1999497

COc1ccc2c(c1)c(C(=O)c1ccn(-c3ccccc3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.50
PLA2G2A P14555 2/20 0.48
CHRM1 P11229 1/20 0.48
AHR P35869 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.44
SERPINE1 P05121 1/20 0.44
AURKA O14965 2/20 0.44
KCNA3 P22001 1/20 0.44
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1998366 0.92 LMNA (0.48) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2000664 0.91 LMNA (0.48) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2007990 0.88 LMNA (0.51) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2004180 0.88 LMNA (0.51) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2003033 0.88 LMNA (0.47) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2004292 0.87 LMNA (0.56) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2003746 0.85 LMNA (0.48) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL13229023 0.84 LMNA (0.48) LMNAALDH1A1PLA2G2ACHRM1AHR
SCHEMBL2006745 0.84 LMNA (0.61) LMNAALDH1A1MAPTPLA2G2ACHRM1
SCHEMBL2008651 0.84 LMNA (0.46) LMNAALDH1A1MAPTPLA2G2ACHRM1

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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 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 (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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885MAPT 3753/4885

“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.