SCHEMBL6070132

SCHEMBL6070132

COC(=O)c1cc[c]cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 3/20 0.56
CFTR P13569 3/20 0.56
KDM4E B2RXH2 7/20 0.51
GAA P10253 6/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
GLA P06280 2/20 0.51
ATM Q13315 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ABL1 P00519 1/20 0.50
TSHR P16473 3/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA5A P35218 1/20 0.39
CA12 O43570 2/20 0.38

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
SCHEMBL1196349 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL130031 0.82 TSHR (0.44) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL4288278 0.79 TSHR (0.41) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL3334103 0.79 LMNA (0.55) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL1355068 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL182737 0.78 KDM4E (0.44) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL4288609 0.78 TSHR (0.40) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL1712644 0.78 ABL1 (0.42) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL7421653 0.78 TSHR (0.40) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL27914881 0.77 LOXL2 (0.42) ALDH1A1HSD17B10CFTRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 US disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
CN-1639141-A Novel thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER LAMBERT CO (US) 2005-07-13 CN disclosed
EP-1326853-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2003-07-16 EP disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 US disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 WO disclosed
WO-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 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-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A ALDH1A1 471/4885HSD17B10 697/4885CFTR 874/4885

“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.