SCHEMBL11298413

SCHEMBL11298413

Brc1ccc(-c2ccc(-c3cncc(-c4ccc(-c5ccc(Br)s5)s4)n3)s2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NPC1 O15118 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX12 P18054 2/20 0.43
ALOX15 P16050 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
SCHEMBL3425584 0.96 MAPT (0.47) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL5453288 0.79 SNCA (0.48) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL5889177 0.79 SNCA (0.48) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL498474 0.79 SNCA (0.48) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL5889194 0.79 SNCA (0.48) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL197157 0.76 SNCA (0.50) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL7857587 0.73 RAB9A (0.40) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL16140274 0.72 SNCA (0.43) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL3420990 0.72 KDM4E (0.53) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL8508163 0.71 MAPT (0.42) MAPTKDM4ERAB9ASMN1; SMN2RXFP1

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-20120245353-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJI XEROX CO., LTD. (JP) 2012-09-27 US disclosed
US-20120245353-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJI XEROX CO., LTD. (JP) 2012-09-27 US disclosed
US-8222409-B2 Nitrogen-containing heterocyclic compound FUJI XEROX CO., LTD. (JP) 2012-07-17 US disclosed
US-8222409-B2 Nitrogen-containing heterocyclic compound FUJI XEROX CO., LTD. (JP) 2012-07-17 US disclosed
US-20100234595-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJI XEROX CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234595-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJI XEROX CO., LTD. (JP) 2010-09-16 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-20100234595-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NPM1, NPR1, NOS1 MAPT 2902/4885KDM4E 2689/4885RAB9A 1373/4885
US-20120245353-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NPM1, NPR1, NOS1 MAPT 2902/4885KDM4E 2689/4885RAB9A 1373/4885

“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.