Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998383

SCHEMBL1998383

SCHEMBL1998383

O=C(c1nnc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ VDR P11473 1/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL2003641 0.94 LMNA (0.41) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2004635 0.94 MAPK1 (0.48) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2005749 0.92 LMNA (0.45) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2003230 0.91 LMNA (0.41) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2005971 0.91 L3MBTL1 (0.43) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2003232 0.90 LMNA (0.38) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2001587 0.89 LMNA (0.41) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2004473 0.89 LMNA (0.44) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL2000432 0.89 PLA2G2A (0.42) LMNAALDH1A1MAPTTSHRCYP1A2
SCHEMBL2012451 0.88 LMNA (0.42) LMNAALDH1A1MAPTTSHRNPSR1

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 10 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-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-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-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-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.