SCHEMBL4597273

SCHEMBL4597273

Nc1nc2c(s1)C(=O)C(Br)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 3/20 0.37
DRD3 P35462 5/20 0.36
DRD2 P14416 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Bromide SCHEMBL6117488 0.98 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTDRD3DRD2
SCHEMBL3802844 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTDRD3DRD2
SCHEMBL13125933 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTDRD3DRD2
SCHEMBL13125920 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTDRD3DRD2
SCHEMBL28895600 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTDRD3DRD2
SCHEMBL8278310 0.79 ALDH1A1 (0.36) ALDH1A1MAPTPOLBKDM4EMEN1
Bromide SCHEMBL6118973 0.78 KDM4E (0.35) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL8073165 0.76 KDM4E (0.33) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL7478299 0.73 ALDH1A1 (0.34) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL1052638 0.71 LMNA (0.42) ALDH1A1MAPTPOLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed
EP-1878731-B1 Process for producing pramipexole HELM AG (DE) 2008-08-20 EP disclosed
EP-1878731-A1 Process for producing pramipexole Helm AG (DE) 2008-01-16 EP 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ALDH1A1 3083/4885MAPK1 4432/4885MAPT 4818/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 ALDH1A1 1053/4885MAPK1 1644/4885MAPT 4816/4885

“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.