SCHEMBL12303377

SCHEMBL12303377

COC(=O)c1cc(Oc2cccnc2C(F)(F)F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GCK P35557 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC3 O15379 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 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
SCHEMBL12303379 0.83 TDP1 (0.55) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11922573 0.82 CFTR (0.51) CFTRALDH1A1MAPTTDP1P2RY1
SCHEMBL11922553 0.81 CFTR (0.50) CFTRKDM4EALDH1A1HSD17B10GAA
SCHEMBL30777867 0.79 ATF1 (0.47) GCKHDAC3BRAFHDAC4HDAC1
SCHEMBL30777864 0.79 ATF1 (0.47) GCKHDAC3BRAFHDAC4HDAC1
SCHEMBL17530353 0.79 ATF1 (0.47) GCKHDAC3BRAFHDAC4HDAC1
SCHEMBL12303378 0.77 CYP2C19 (0.43) KDM4ECYP2C19CYP1A2P2RY1
SCHEMBL13975084 0.75 CFTR (0.58) CFTRKDM4EALDH1A1HSD17B10GAA
SCHEMBL25297428 0.75 CFTR (0.57) CFTRKDM4EALDH1A1HSD17B10GAA
SCHEMBL2608989 0.74 ALDH1A1 (0.50) CFTRKDM4EALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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 (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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CFTR 982/4885KDM4E 3158/4885ALDH1A1 1625/4885

“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.

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