SCHEMBL3524975

SCHEMBL3524975

CN1CCN(c2nc(-c3ccc(Br)cc3)cs2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
CA1 P00915 1/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.44
ESR1 P03372 1/20 0.44
HTT P42858 1/20 0.44
USP30 Q70CQ3 2/20 0.43
SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL4080108 0.91 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3527455 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL4079438 0.76 RAB9A (0.60) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3863110 0.74 RAB9A (0.57) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL4075394 0.73 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL19297530 0.73 RAB9A (0.45) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL3863210 0.73 CA1 (0.49) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL12288921 0.72 RAB9A (1.00) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL2557793 0.72 RAB9A (1.00) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL4074046 0.71 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AMAPTMEN1KMT2A

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 6 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 claimed
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 claimed
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
US-20080045556-A1 Oxazolidone 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

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 SMN1; SMN2 3676/4885RAB9A 2193/4885MAPT 1647/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR SMN1; SMN2 3382/4885RAB9A 1677/4885MAPT 1550/4885

“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.