Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004990

SCHEMBL2004990

SCHEMBL2004990

O=C(c1nc(-c2ccnnc2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ VDR P11473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ TP53 P04637 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL2004477 0.93 LMNA (0.41) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2006152 0.91 LMNA (0.43) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2004501 0.90 LMNA (0.43) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2005864 0.90 MAPT (0.45) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2004777 0.90 TP53 (0.37) MAPTLMNAALDH1A1ALOX12NPSR1
SCHEMBL2002834 0.89 DRD2 (0.37) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2004459 0.88 PLA2G2A (0.38) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL2006139 0.87 LMNA (0.44) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2001587 0.86 LMNA (0.41) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2003771 0.85 LMNA (0.41) MAPTLMNAALDH1A1ALOX12CYP1A2

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 8 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-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

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 MAPT 997/4885LMNA 3450/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885LMNA 4536/4885ALDH1A1 178/4885

“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.