SCHEMBL16724698

SCHEMBL16724698

CC(C)SSc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2829221 0.82 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL29896037 0.82 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL10297586 0.81 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL28946087 0.81 LMNA (0.44) ALDH1A1CYP1A2CYP3A4KDM4EPOLB
Hydrochloric Acid SCHEMBL10942983 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL30967433 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL14749003 0.78
Ethyne SCHEMBL17596309 0.78 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL576332 0.75 HPGD (0.55) ALDH1A1CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL25574416 0.74

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-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2021-05-18 US disclosed
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE (INSERM) (FR) 2015-05-21 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 (2 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-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer XPOT, CHMP4B, XPO5 ALDH1A1 2273/4885CYP2A6 1270/4885CYP1A2 1293/4885
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof RAB35, MRPL21, MRPS35 ALDH1A1 4118/4885CYP2A6 2361/4885CYP1A2 2873/4885

“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.