SCHEMBL6718368

SCHEMBL6718368

O=S(=O)(Nc1cccc(C2=NCCc3ccc(F)cc32)c1)c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
BRAF P15056 1/20 0.42
TP53 P04637 7/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 2/20 0.41
USP2 O75604 1/20 0.41
MAPK10 P53779 1/20 0.41
PRF1 P14222 1/20 0.41
PFKFB3 Q16875 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KIT P10721 1/20 0.39
SGK1 O00141 1/20 0.39

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
SCHEMBL6716553 0.92 LMNA (0.53) LMNAL3MBTL1BRAFTP53MAPT
SCHEMBL6720429 0.88 LMNA (0.50) LMNAL3MBTL1BRAFTP53MAPT
SCHEMBL6717907 0.88 PFKFB3 (0.55) LMNATP53MAPTTHRBUSP2
SCHEMBL7210302 0.86 LMNA (0.48) LMNAL3MBTL1BRAFTP53MAPT
SCHEMBL7067036 0.86 HSD17B1 (0.46) LMNAMAPK10PRF1
SCHEMBL6720387 0.85 PFKFB3 (0.52) LMNATP53MAPTMAPK10PFKFB3
SCHEMBL6720515 0.84 MAPK10 (0.46) L3MBTL1TP53THRBMAPK10PRF1
SCHEMBL6724800 0.83 UQCRB (0.47) LMNAL3MBTL1TP53MAPTPOLB
SCHEMBL6716920 0.82 SMN1; SMN2 (0.61) LMNATP53MAPTTHRBMAPK10
SCHEMBL6716641 0.82 PFKFB3 (0.47) LMNATP53MAPTMAPK10PRF1

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 LMNA 1790/4885L3MBTL1 4650/4885BRAF 3107/4885

“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.