SCHEMBL1889779

SCHEMBL1889779

Cc1cnccc1C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
GSK3B P49841 2/20 0.41
KDM4C Q9H3R0 10/20 0.40
KDM6B O15054 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4A O75164 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KDM5C P41229 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PTPN1 P18031 3/20 0.37
HPGDS O60760 1/20 0.36

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
SCHEMBL3812402 0.85 TDP1 (0.59) TDP1SIRT3GSK3BKDM4CKDM6B
Hydrochloric Acid SCHEMBL641566 0.84 TDP1 (0.58) TDP1SIRT3GSK3BKDM4CKDM6B
Bromide SCHEMBL5567775 0.84 TDP1 (0.58) TDP1SIRT3GSK3BKDM4CKDM6B
SCHEMBL16684319 0.80 KDM4C (0.41) TDP1SIRT3GSK3BKDM4CKDM6B
SCHEMBL31438505 0.79 CCNC (0.41) TDP1SIRT3GSK3BKDM4CKDM6B
SCHEMBL1883873 0.79 CCNC (0.41) TDP1SIRT3GSK3BKDM4CKDM6B
Bromide SCHEMBL16671695 0.79 KDM4C (0.40) TDP1SIRT3GSK3BKDM4CKDM6B
SCHEMBL22286141 0.78 GSK3B (0.41) TDP1GSK3BKDM4CKDM6BKDM4E
SCHEMBL4185590 0.78 PTPN1 (0.41) TDP1SIRT3GSK3BKDM4CKDM6B
SCHEMBL29701774 0.78 PTPN1 (0.41) TDP1SIRT3GSK3BKDM4CKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019626-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 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 (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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 TDP1 1160/4885SIRT3 2243/4885GSK3B 1153/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA TDP1 4487/4885SIRT3 1602/4885GSK3B 517/4885

“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.