SCHEMBL4487938

SCHEMBL4487938

O=C(CO)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.61
MGAM O43451 7/20 0.61
SI P14410 7/20 0.61
MGAM2 Q2M2H8 7/20 0.61
KMT2A Q03164 6/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 4/20 0.60
MAPK1 P28482 2/20 0.60
WNT3A P56704 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
ELOVL1 Q9BW60 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL4408570 0.89 GAA (0.61) GAAMGAMSIMGAM2KMT2A
SCHEMBL7930002 0.87 GAA (0.60) GAAMGAMSIMGAM2KMT2A
SCHEMBL10921733 0.85 KMT2A (0.68) GAAMGAMSIMGAM2KMT2A
SCHEMBL21484734 0.84 ABL1 (0.69) GAAMGAMSIMGAM2KMT2A
SCHEMBL12527532 0.82 ABL1 (0.74) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL4075045 0.82 MAPT (0.65) GAAMGAMSIMGAM2KMT2A
SCHEMBL4086850 0.79 MAPT (0.59) GAAMGAMSIMGAM2KMT2A
SCHEMBL14125385 0.78 MAPT (0.61) GAAMGAMSIMGAM2KMT2A
SCHEMBL17107123 0.78 LMNA (0.76) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL23704807 0.77 LMNA (0.54) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN disclosed
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 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-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR GAA 4758/4885MGAM 2791/4885SI 2466/4885

“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.