SCHEMBL3166808

SCHEMBL3166808

C[C@@H]1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.50
IDH1 O75874 5/20 0.46
ERBB2 P04626 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
EGFR P00533 3/20 0.42

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
SCHEMBL4075164 1.00 RAB9A (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4077340 1.00 RAB9A (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4080528 0.86 ALDH1A1 (0.46) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4075686 0.85 CA1 (0.47) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4492132 0.85 GAA (0.54) MEN1KMT2AMAPTIDH1
SCHEMBL4075212 0.85 CA1 (0.47) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4075521 0.85 GAA (0.54) MEN1KMT2AMAPTIDH1
SCHEMBL4074059 0.85 GAA (0.54) MEN1KMT2AMAPTIDH1
SCHEMBL4076669 0.85 CA1 (0.47) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4077649 0.85 IDH1 (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US claimed
US-7652018-B2 Imidazolidin-2-one derivatives useful as PR modulators WYETH LLC (US) 2010-01-26 US disclosed
US-7649007-B2 Oxazolidine derivatives as PR modulators WYETH LLC (US) 2010-01-19 US disclosed
US-7618989-B2 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2009-11-17 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
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN disclosed
US-7538107-B2 Oxazinan-2-one derivatives useful as PR modulators WYETH (US) 2009-05-26 US disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045579-A1 Oxazolidine derivatives as PR modulators WYETH (US) 2008-02-21 US 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
US-20080045518-A1 Oxazinan-2-one derivatives useful 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 (6 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-20080045518-A1 Oxazinan-2-one derivatives useful as PR modulators NPY1R, OXTR, GNRHR RAB9A 2511/4885SMN1; SMN2 2791/4885MEN1 177/4885
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 RAB9A 2193/4885SMN1; SMN2 3676/4885MEN1 30/4885
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R RAB9A 830/4885SMN1; SMN2 3154/4885MEN1 135/4885
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators MC2R, GNRHR, MC3R RAB9A 2089/4885SMN1; SMN2 3186/4885MEN1 656/4885
US-20080045579-A1 Oxazolidine derivatives as PR modulators NPY1R, GNRHR, KISS1R RAB9A 469/4885SMN1; SMN2 3158/4885MEN1 142/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR RAB9A 1677/4885SMN1; SMN2 3382/4885MEN1 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.