SCHEMBL12890997

SCHEMBL12890997

CN(C)CCc1nnc(C(C)(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL12891001 0.89 KCNH2 (0.35) CYP3A4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL12891055 0.80 CYP3A4 (0.39) CYP3A4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL12503454 0.78 KMT2A (0.41) MEN1CYP1A2KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3710557 0.74 CA1 (0.37) CYP3A4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL12263493 0.74 NPC1 (0.36) SMN1; SMN2KDM4EHRH3
SCHEMBL10285896 0.73 SMN1; SMN2 (0.43) CYP3A4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10401930 0.72 KDM4E (0.35) KDM4EHRH3
SCHEMBL10401931 0.72 KDM4E (0.35) KDM4EHRH3
SCHEMBL1241982 0.72 TAAR1 (0.36) MEN1KMT2AKDM4EHRH3
SCHEMBL1241938 0.72 POLB (0.57) SMN1; SMN2

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 CYP3A4 2595/4885MEN1 977/4885CYP1A2 2117/4885

“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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