SCHEMBL1629384

SCHEMBL1629384

CC[C@@H](C)n1cc(Br)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPT P10636 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CDK2 P24941 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 2/20 0.34
GAA P10253 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
SCHEMBL1631179 1.00 CYP1A2 (0.42) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL27741560 1.00 CYP1A2 (0.42) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL1629215 0.86 MEN1 (0.46) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL1630753 0.77 MEN1 (0.40) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL1631009 0.76 MAPT (0.45) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL31520666 0.76 MAPT (0.45) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL26630330 0.75 MEN1 (0.56) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL19911387 0.72 FGFR1 (0.51) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL5203056 0.71 HTR6 (0.39) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL26630271 0.70 MAPT (0.56) CYP1A2MAPTMEN1KMT2ALMNA

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
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
CN-101374808-B Indole sulfonamide modulators of progesterone receptors LILLY CO ELI 2011-05-25 CN disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
CN-101374808-A Indole sulfonamide modulators of progesterone receptors LILLY CO ELI (US) 2009-02-25 CN disclosed
EP-1979314-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS Eli Lilly & Company (US) 2008-10-15 EP disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR CYP1A2 231/4885MAPT 4285/4885MEN1 3431/4885

“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.