SCHEMBL1462899

SCHEMBL1462899

COc1ccc(CC(=O)Cl)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
HDAC6 Q9UBN7 4/20 0.57
ALDH1A1 P00352 3/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2853330 0.85 HDAC1 (0.58) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL138449 0.85 GAA (0.68) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL76377 0.84 LMNA (0.59) ALDH1A1GAALMNAKDM4ETDP1
SCHEMBL4450255 0.84 ALDH1A1 (0.50) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL2734577 0.83 ABL1 (0.59) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL136681 0.83 HDAC1 (0.60) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL16930166 0.82 HDAC1 (0.56) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL3616256 0.81 ALDH1A1 (0.53) ALDH1A1GAALMNATDP1SMN1; SMN2
SCHEMBL3659918 0.81 GAA (0.50) ALDH1A1ABL1RIN1GAALMNA
SCHEMBL21916970 0.81 HDAC1 (0.54) HDAC1HDAC6ALDH1A1ABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8580783-B2 [1,2,4]triazolo [1,5-c]pyrimidine derivatives as Hsp90 modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-12 US disclosed
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2012-07-19 US disclosed
EP-2475665-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS Nerviano Medical Sciences S.r.l. (IT) 2012-07-18 EP disclosed
WO-2011029775-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-03-17 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-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P HDAC1 1326/4885HDAC6 110/4885ALDH1A1 1300/4885
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P HDAC1 1242/4885HDAC6 119/4885ALDH1A1 848/4885

“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.