SCHEMBL4896437

SCHEMBL4896437

Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCC(C)C)sc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
NPC1 O15118 1/20 0.62
USP2 O75604 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 1/20 0.61
USP28 Q96RU2 3/20 0.56
USP25 Q9UHP3 1/20 0.56
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
CHRM4 P08173 4/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL4896847 0.87 LMNA (0.59) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4897719 0.87 LMNA (0.59) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4887791 0.87 LMNA (0.59) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4895561 0.87 LMNA (0.61) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4895317 0.85 LMNA (0.59) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4895313 0.85 LMNA (0.59) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4895299 0.84 USP28 (0.63) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4896811 0.84 ALDH1A1 (0.61) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4896454 0.83 NPC1 (0.60) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL4896350 0.83 CHRM4 (0.75) MAPTALDH1A1CASP1CASP7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306107-A1 Compounds ASTRAZENECA AB (SE) 2008-12-11 US claimed
CN-101128470-A Novel compounds ASTRAZENECA AB (SE) 2008-02-20 CN claimed
US-20080306107-A1 Compounds ASTRAZENECA AB (SE) 2008-12-11 US disclosed
CN-101128470-A Novel compounds ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
EP-1833834-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006068618-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 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-20080306107-A1 Compounds FURIN, PCSK9, SLC10A1 MAPT 1464/4885ALDH1A1 609/4885CASP1 495/4885

“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.