SCHEMBL5450137

SCHEMBL5450137

Cc1cc(C)nc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
GAA P10253 2/20 0.64
TSHR P16473 1/20 0.63
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60
PCTP Q9UKL6 2/20 0.58
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL6843456 0.88 ADRA2B (0.58) ALDH1A1CYP3A4SMN1; SMN2TDP1TSHR
SCHEMBL5455334 0.85 MAPT (0.71) ALDH1A1GAALMNARXFP1POLB
SCHEMBL16358817 0.84 LMNA (0.71) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
Sulfamethazine SCHEMBL28028309 0.82 ALDH1A1 (0.94) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
SCHEMBL5453637 0.82 PDE4A (0.71) ALDH1A1TDP1LMNAPOLBMEN1
Sulfamethazine SCHEMBL151305 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
Sulfamethazine SCHEMBL17256221 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
Sulfamethazine SCHEMBL29918086 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
Sulfamethazine SCHEMBL28447030 0.81 ALDH1A1 (0.86) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA
SCHEMBL12903578 0.81 SMN1; SMN2 (0.76) ALDH1A1CYP3A4SMN1; SMN2TDP1GAA

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
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
US-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor OY JUVANTIA PHARMA LTD (FI) 2003-04-17 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-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor ADRB2, ADRB3, ADRB1 ALDH1A1 1493/4885CYP3A4 2743/4885SMN1; SMN2 3331/4885
US-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A ALDH1A1 816/4885CYP3A4 439/4885SMN1; SMN2 773/4885

“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.