Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898944

SCHEMBL2898944

SCHEMBL2898944

CC(C)(C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.74
▸ MEN1 O00255 8/20 0.74
▸ MAPT P10636 8/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ HTT P42858 3/20 0.74
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ BAZ1A Q9NRL2 1/20 0.59
▸ CSNK2A1 P68400 4/20 0.59
▸ GAA P10253 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ MAOA P21397 2/20 0.56
▸ MAOB P27338 2/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55

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
SCHEMBL2901438 0.85 NR3C1 (0.60) MAPTALDH1A1RAB9AHDAC3HDAC4
SCHEMBL2898070 0.85 NR3C1 (0.53) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2899850 0.84 ABL1 (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2901337 0.84 ROCK2 (0.53) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2901386 0.83 HDAC3 (0.55) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2901927 0.82 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2898015 0.82 ABL1 (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2899220 0.82 MEN1 (0.56) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL10962764 0.81 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2900271 0.81 NR3C1 (0.64) MAPTHDAC3HDAC4HDAC1HDAC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA KMT2A 2852/4885MEN1 3339/4885MAPT 1222/4885

“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.