SCHEMBL24968596

SCHEMBL24968596

CC(C)(C)[S@@+]([O-])/N=C(/CCCCl)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
TBXAS1 P24557 6/20 0.34
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28959772 1.00 KMT2A (0.36) KMT2ADRD2DRD4LMNACYP1A2
SCHEMBL24931443 1.00 KMT2A (0.36) KMT2ADRD2DRD4LMNACYP1A2
SCHEMBL12355494 0.84 ATM (0.35) L3MBTL1
SCHEMBL20318601 0.83 CYP19A1 (0.40) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL18623188 0.81 ALDH1A1 (0.46) DRD2DRD4LMNACYP1A2CYP3A4
SCHEMBL22981935 0.81 TBXAS1 (0.37) KMT2ADRD2DRD4LMNACYP1A2
SCHEMBL18604872 0.81 ALDH1A1 (0.46) DRD2DRD4LMNACYP1A2CYP3A4
SCHEMBL22981937 0.81 TBXAS1 (0.37) KMT2ADRD2DRD4LMNACYP1A2
SCHEMBL2241783 0.80 L3MBTL1 (0.36) LMNATDP1L3MBTL1
SCHEMBL2241789 0.80 L3MBTL1 (0.36) LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025652-A1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE SHENZHEN ZINWI BIO-TECH CO., LTD (CN) 2023-01-26 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-20230025652-A1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE CHRNB1, CHRNB4, CHRNB3 KMT2A 634/4885DRD2 1314/4885DRD4 830/4885

“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.