SCHEMBL6715129

SCHEMBL6715129

N#Cc1ccc(S(=O)(=O)Nc2cccc(C3=NCCc4cc(Cl)ccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
GAA P10253 1/20 0.45
ATIC P31939 1/20 0.44
CYP19A1 P11511 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
PARP1 P09874 1/20 0.43
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
MAPK10 P53779 3/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41
HSD11B1 P28845 2/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL7214704 0.93 DRD2 (0.48) KDM1AMAOAGAAATICCYP19A1
SCHEMBL6724570 0.87 LMNA (0.46) GAACYP19A1MAPK10MAPK9MAPK14
SCHEMBL6718000 0.87 CYP19A1 (0.46) GAACYP19A1HSD17B1HSD17B2MAPK10
SCHEMBL6718246 0.86 ERAP1 (0.46) KDM1AMAOAGAAATICDRD2
SCHEMBL6720458 0.85 UQCRB (0.47) GAACYP19A1HSD17B2MAPK10MAPK9
SCHEMBL6779986 0.85 CYP19A1 (0.43) GAACYP19A1MAPK10MAPK9MAPK14
SCHEMBL6718083 0.83 CA1 (0.52) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL7215335 0.83 FBP1 (0.44) GAACYP19A1MAPK10MAPK9MAPK14
SCHEMBL6725587 0.80 TSHR (0.47) KDM1AGAAHSD17B2
SCHEMBL6717849 0.80 PGR (0.47) GAACYP19A1DRD2HTR2AHTR2C

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
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A KDM1A 1657/4885MAOA 532/4885GAA 1250/4885

“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.