SCHEMBL5458574

SCHEMBL5458574

CC(C)(C)NS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL8169641 0.84 TMPRSS6 (0.55) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL3643243 0.84 ALDH1A1 (0.58) CA2ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL3716571 0.84 ALDH1A1 (0.54) CA2ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL5041352 0.80 LMNA (0.61) CA2ALDH1A1MAPTSMN1; SMN2CA1
SCHEMBL1870821 0.79 CA2 (0.59) CA2ALDH1A1SMN1; SMN2POLBCA12
SCHEMBL8486571 0.79 ALDH1A1 (0.64) CA2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7895365 0.79 MEN1 (0.54) CA2ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL8724306 0.79 ALDH1A1 (0.50) CA2ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL3643506 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL21540995 0.78 ALDH1A1 (0.53) CA2ALDH1A1MAPTSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A CA2 4522/4885ALDH1A1 816/4885MAPT 577/4885

“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.