SCHEMBL3174725

SCHEMBL3174725

Brc1ccc(-c2csc(Br)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.68
MAPT P10636 9/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
NPC1 O15118 7/20 0.68
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
ALDH1A1 P00352 4/20 0.66
NPSR1 Q6W5P4 1/20 0.66
LMNA P02545 5/20 0.61
KDM4E B2RXH2 2/20 0.61
LTA4H P09960 1/20 0.59
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.51
CYP19A1 P11511 1/20 0.49
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.47
SREBF2 Q12772 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL428793 0.83 RAB9A (0.96) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL28679988 0.83 LTA4H (0.66) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL3761118 0.83 RAB9A (0.66) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL1774137 0.83 RAB9A (0.58) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL3823252 0.83 RAB9A (0.58) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL2225468 0.82 ALDH1A1 (0.63) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL20504926 0.81 RAB9A (0.61) RAB9AMAPTSMN1; SMN2NPC1MEN1
Bromide SCHEMBL4433292 0.81 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL1764592 0.81 RAB9A (0.61) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL6174249 0.81 RAB9A (0.61) RAB9AMAPTSMN1; SMN2NPC1MEN1

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 19 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-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
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
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
WO-2008021337-A1 OXAZINAN-2-ONE DERIVATIVES USEFUL 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
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021339-A2 PYRROLIDINE AND RELATED DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021338-A2 TRICYCLIC OXAZOLIDONE 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
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 2511/4885MAPT 1146/4885SMN1; SMN2 2791/4885
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 2193/4885MAPT 1647/4885SMN1; SMN2 3676/4885
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R RAB9A 830/4885MAPT 858/4885SMN1; SMN2 3154/4885
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators MC2R, GNRHR, MC3R RAB9A 2089/4885MAPT 1702/4885SMN1; SMN2 3186/4885
US-20080045579-A1 Oxazolidine derivatives as PR modulators NPY1R, GNRHR, KISS1R RAB9A 469/4885MAPT 1518/4885SMN1; SMN2 3158/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR RAB9A 1677/4885MAPT 1550/4885SMN1; SMN2 3382/4885

“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.