SCHEMBL9962250

SCHEMBL9962250

COc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Br)cc34)[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
ABCG2 Q9UNQ0 12/20 0.55
ABCB1 P08183 6/20 0.54
LMNA P02545 2/20 0.49
KIF11 P52732 1/20 0.48

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
SCHEMBL3342885 1.00 TP53 (0.59) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL3344853 1.00 TP53 (0.59) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL3344851 1.00 TP53 (0.59) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403052 0.93 ABCG2 (0.55) TP53MAPTSMN1; SMN2ABCG2LMNA
Emvododstat SCHEMBL764056 0.93 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL15087042 0.93 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1
Emvododstat SCHEMBL9962251 0.93 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1
Emvododstat SCHEMBL29382728 0.93 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1
Emvododstat SCHEMBL8509210 0.93 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403437 0.93 TP53 (0.68) TP53MAPTSMN1; SMN2ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703726-B2 Methods for treating prostate conditions PTC THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703726-B2 Methods for treating prostate conditions PTC THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. 2012-08-09 US disclosed
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. 2012-08-09 US disclosed
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS PTC THERAPEUTICS, INC. 2012-07-12 US disclosed
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS PTC THERAPEUTICS, INC. 2012-07-12 US disclosed
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
WO-2011150162-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2011-12-01 WO disclosed
WO-2010138659-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138695-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138706-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138685-A1 METHODS FOR TREATING PROSTATE CONDITIONS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
WO-2010138652-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. (US) 2010-12-02 WO 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-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS HDGF, VEGFA, FLT4 TP53 61/4885MAPT 1046/4885SMN1; SMN2 2143/4885
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS VHL, NGF, VEGFA TP53 99/4885MAPT 3613/4885SMN1; SMN2 512/4885
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS EIF2AK2, POLRMT, POLM TP53 156/4885MAPT 2440/4885SMN1; SMN2 2448/4885
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA HDGF, HIF1AN, VEGFA TP53 17/4885MAPT 3684/4885SMN1; SMN2 2479/4885
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER VEGFA, FLT4, FLT1 TP53 34/4885MAPT 3448/4885SMN1; SMN2 4595/4885
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS ACP3, BPHL, PTGFR TP53 380/4885MAPT 1384/4885SMN1; SMN2 4698/4885

“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.