SCHEMBL12891001

SCHEMBL12891001

CN(C)CCCc1nnc(C(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ GLS O94925 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL12890997 0.89 CYP3A4 (0.37) KCNH2CYP3A4MEN1CYP1A2KMT2A
SCHEMBL12891055 0.77 CYP3A4 (0.39) CYP3A4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16327123 0.76 ALDH1A1 (0.36) ALDH1A1POLBGLSSMN1; SMN2KDM4E
SCHEMBL12503454 0.75 KMT2A (0.41) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1241280 0.74 HRH3 (0.40) ALDH1A1POLBGLSKDM4ETSHR
SCHEMBL10404413 0.74 ALDH1A1 (0.35) ALDH1A1POLBGLSKDM4ETSHR
SCHEMBL10404416 0.74 ALDH1A1 (0.35) ALDH1A1POLBGLSKDM4ETSHR
SCHEMBL1239303 0.74 POLB (0.64) ALDH1A1POLBGLSSMN1; SMN2
SCHEMBL13189055 0.73 CA1 (0.38) CYP3A4ALDH1A1POLBGLSMEN1
Hydrochloric Acid SCHEMBL3710557 0.72 CA1 (0.37) CYP3A4ALDH1A1POLBGLSMEN1

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 — — US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 — — 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 KCNH2 2264/4885CYP3A4 2595/4885ALDH1A1 3224/4885

“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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