SCHEMBL3523965

SCHEMBL3523965

NCCNc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RAB9A P51151 10/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 6/20 0.49
ALOX12 P18054 2/20 0.49
STAT1 P42224 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
LTA4H P09960 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4590886 0.85 NPY5R (0.55) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4078210 0.82 MAPT (0.60) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL28588005 0.79 MAPT (0.74) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL14468806 0.77 MAPT (0.77) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL9251705 0.77 RAB9A (0.53) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2255388 0.77 MAPT (0.60) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8171460 0.76 MAPT (0.74) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL13685439 0.74 RAB9A (0.57) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL3610890 0.73 MAPT (0.64) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL14046024 0.72 MAPT (0.52) MAPTALDH1A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652018-B2 Imidazolidin-2-one derivatives useful as PR modulators WYETH LLC (US) 2010-01-26 US 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
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021309-A1 IMIDAZOLIDIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
US-20080045577-A1 4-[2-(3,5,5-Trimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile; 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one; contraception, fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas 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 (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-20080045577-A1 4-[2-(3,5,5-Trimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile; 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one; contraception, fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas PKD1, SHBG, NPY4R MAPT 1647/4885ALDH1A1 3170/4885MEN1 30/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR MAPT 1550/4885ALDH1A1 3334/4885MEN1 699/4885

“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.