SCHEMBL14077803

SCHEMBL14077803

CC1(c2ccccc2)NC(=S)NC1=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.40
▸ MAPT P10636 2/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ USP2 O75604 1/20 0.32

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
SCHEMBL3299636 0.77 ALDH1A1 (0.47) ALDH1A1MAPTCACNA1FCYP2C9HTR2A
SCHEMBL14258078 0.73 CYP2C19 (0.45) ALDH1A1MAPTUSP2GAALMNA
SCHEMBL8090986 0.69 ALDH1A1 (0.40) ALDH1A1MAPTMMP2MMP9GAA
SCHEMBL7236829 0.67 ALDH1A1 (0.45) ALDH1A1MAPTCACNA1FCYP2C9HTR2A
SCHEMBL7977554 0.67 ALDH1A1 (0.45) ALDH1A1MAPTCACNA1FCYP2C9HTR2A
SCHEMBL2086656 0.65 ALDH1A1 (0.40) ALDH1A1MMP2MMP9GAALMNA
SCHEMBL14077810 0.64 BACE1 (0.46) ALDH1A1MMP2MMP9HTTBACE1
SCHEMBL7480064 0.63 CNR1 (0.44) ALDH1A1MAPTCYP2C9GAALMNA
SCHEMBL9717767 0.63 ALDH1A1 (0.37) ALDH1A1MAPTCACNA1FCYP2C9HTR2A
SCHEMBL7488088 0.63 CYP2C9 (0.42) ALDH1A1MAPTCACNA1FCYP2C9HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 — — US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 — — US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 — — 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 (3 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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT ALDH1A1 2495/4885MAPT 3/4885CACNA1F 297/4885
US-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT ALDH1A1 2575/4885MAPT 3/4885CACNA1F 243/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT ALDH1A1 2566/4885MAPT 3/4885CACNA1F 326/4885

“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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