Sugi Predict

Sugi Predict / Compounds / SCHEMBL3005873

SCHEMBL3005873

SCHEMBL3005873

COc1ccc2c(c1)c(C(=O)c1nc3ccccc3o1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ AHR P35869 1/20 0.46
▸ PLA2G2A P14555 2/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 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
SCHEMBL4378889 0.91 ALDH1A1 (0.46) LMNAALDH1A1MAPTSMN1; SMN2PLA2G2A
SCHEMBL12628671 0.89 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL12628639 0.89 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL12628566 0.87 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL12628702 0.87 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2992919 0.84 TUBB4A (0.49) LMNAALDH1A1MAPTSMN1; SMN2PLA2G2A
SCHEMBL3007027 0.81 PLA2G2A (0.53) LMNAALDH1A1MAPTPLA2G2AHTT
SCHEMBL2000958 0.81 LMNA (0.57) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2000841 0.81 LMNA (0.54) LMNAALDH1A1MAPTSMN1; SMN2AHR
SCHEMBL2006741 0.81 LMNA (0.54) LMNAALDH1A1MAPTSMN1; SMN2AHR

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 7 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-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
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — 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
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 (3 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
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.