SCHEMBL5450322

SCHEMBL5450322

COc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
ALDH1A1 P00352 6/20 0.68
CHEK2 O96017 1/20 0.64
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62
CYP19A1 P11511 1/20 0.60
OPRK1 P41145 3/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
USP2 O75604 1/20 0.57
KMT2A Q03164 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PARP1 P09874 1/20 0.57
PARP10 Q53GL7 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL1279547 0.88 TSHR (1.00) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL20981395 0.88 TSHR (0.80) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL20981432 0.88 TSHR (1.00) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1278961 0.88 TSHR (0.80) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5444153 0.85 CYP19A1 (0.66) TSHRALDH1A1CYP19A1MAPTKMT2A
SCHEMBL6272107 0.83 ALDH1A1 (0.76) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL13419650 0.83 ALDH1A1 (0.76) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4915517 0.83 ALDH1A1 (0.76) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3450034 0.82 TSHR (0.71) TSHRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6608558 0.82 TSHR (0.76) TSHRALDH1A1LMNASMN1; SMN2HTT

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 TSHR 1155/4885ALDH1A1 816/4885CHEK2 1547/4885

“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.