Sugi Predict

Sugi Predict / Compounds / SCHEMBL1997418

SCHEMBL1997418

SCHEMBL1997418

COc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GNAI1 P63096 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPC1 O15118 3/20 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
SCHEMBL2004059 0.93 S1PR1 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2008959 0.93 PLA2G2A (0.49) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2006062 0.92 CYP1A2 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2001742 0.91 PLA2G2A (0.48) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2001925 0.91 LMNA (0.41) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2004796 0.90 CYP1A2 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2005129 0.90 TSHR (0.46) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2004518 0.90 ABCB1 (0.42) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2005657 0.89 MEN1 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2008785 0.89 GAA (0.46) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6

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-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
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 CYP3A4 618/4885CYP1A2 360/4885CYP2C9 608/4885

“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.