SCHEMBL3729993

SCHEMBL3729993

CC(C)C(C(=O)N1CCN(c2ccccn2)CC1)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CA2 P00918 12/20 0.46
CA1 P00915 7/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA7 P43166 3/20 0.46
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CA4 P22748 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3729987 1.00 LMNA (0.46) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL3746424 0.92 CA2 (0.45) LMNAKMT2AMAPTMAPK1CA2
SCHEMBL3746426 0.92 CA2 (0.45) LMNAKMT2AMAPTMAPK1CA2
SCHEMBL3730887 0.89 CA2 (0.49) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL3730891 0.89 CA2 (0.49) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL3746403 0.86 CA2 (0.47) LMNAKMT2AMAPTCA2CA1
SCHEMBL3746412 0.86 CA2 (0.47) LMNAKMT2AMAPTCA2CA1
SCHEMBL3737690 0.84 CA2 (0.46) LMNAKMT2ACA2CA1CA12
SCHEMBL3737687 0.84 CA2 (0.46) LMNAKMT2ACA2CA1CA12
SCHEMBL3744814 0.83 CA2 (0.43) LMNAKMT2ATP53CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US claimed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US claimed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 LMNA 4594/4885ALDH1A1 387/4885SMN1; SMN2 4854/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 LMNA 4594/4885ALDH1A1 387/4885SMN1; SMN2 4854/4885

“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.