SCHEMBL3406033

SCHEMBL3406033

Cc1[nH]c2ccc(S(N)(=O)=O)cc2c1CCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
MAPT P10636 3/20 0.46
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR6 P50406 3/20 0.39
CXCR4 P61073 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HTR7 P34969 2/20 0.38
BRAF P15056 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2B P41595 1/20 0.38

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 SCHEMBL3405963 0.93 HDAC3 (0.42) HDAC3HDAC1HDAC2MAPTGFER
SCHEMBL2830314 0.74 MAPT (0.55) MAPTSMN1; SMN2LIN28ATDP1KMT2A
SCHEMBL3410920 0.74 MAPT (0.64) MAPTGFERTDP1HTR6HTR7
SCHEMBL3410737 0.68 KCNA5 (0.54) MAPTSMN1; SMN2LIN28ATDP1CXCR4
Bromide SCHEMBL3412201 0.68 CA2 (0.46) MAPTSMN1; SMN2LIN28ATDP1KMT2A
SCHEMBL2472295 0.66 CA1 (0.54)
SCHEMBL6575496 0.66 HTR6 (0.56) MAPTGFERSMN1; SMN2TDP1HTR6
SCHEMBL8772399 0.65 TDP1 (0.81) MAPTSMN1; SMN2LIN28ATDP1KMT2A
Hydrochloric Acid SCHEMBL6575484 0.65 HTR6 (0.54) MAPTGFERSMN1; SMN2TDP1HTR6
SCHEMBL3404091 0.64 CA2 (0.56) MAPTSMN1; SMN2LIN28ATDP1KMT2A

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 13 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
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
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2240171-B1 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARM INC (US) 2014-08-13 EP disclosed
EP-2240171-B1 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARM INC (US) 2014-08-13 EP disclosed
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO 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
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US 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 HDAC3 153/4885HDAC1 79/4885HDAC2 227/4885

“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.