SCHEMBL13764455

SCHEMBL13764455

N#CSc1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33
GFER P55789 1/20 0.32
METAP2 P50579 1/20 0.32
IDO1 P14902 2/20 0.31
FTO Q9C0B1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL28183847 0.84 ALDH1A1 (0.44) ALDH1A1MAPTPOLBMGLLCA2
SCHEMBL3392990 0.74 ACHE (0.46) ALDH1A1MAPTPOLBMGLLCA2
SCHEMBL11056267 0.74 CYP3A4 (0.46) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL31408760 0.74 CYP3A4 (0.46) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL7188784 0.74 ALDH1A1 (0.42) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL23554066 0.74 DDB1 (0.45) ALDH1A1MAPTPOLBMAOAMAOB
SCHEMBL14257328 0.74 HAO1 (0.43) ALDH1A1MAPTPOLBFAAHMGLL
SCHEMBL6245615 0.74 KMT2A (0.39) ALDH1A1MAPTPOLBMGLLGABRA1
SCHEMBL14409994 0.74 ALDH1A1 (0.38) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL26944302 0.74 MYC (0.43) ALDH1A1MAPTPOLBMGLLCA2

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
EP-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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 (1 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 ALDH1A1 2166/4885MAPT 3380/4885POLB 3702/4885

“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.