SCHEMBL1241280

SCHEMBL1241280

CN(C)CCCc1nnc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ CXCR1 P25024 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL1241982 0.88 TAAR1 (0.36) HRH3PIM1PIM2KDM4ETAAR1
SCHEMBL21399636 0.79 ALDH1A1 (0.52) ALDH1A1POLBTSHR
SCHEMBL16327123 0.78 ALDH1A1 (0.36) HRH3ALDH1A1POLBKDM4ETSHR
SCHEMBL10404413 0.77 ALDH1A1 (0.35) ALDH1A1POLBKDM4ETSHRGLS
SCHEMBL10404416 0.77 ALDH1A1 (0.35) ALDH1A1POLBKDM4ETSHRGLS
SCHEMBL1239303 0.77 POLB (0.64) ALDH1A1POLBGLS
SCHEMBL12891001 0.74 KCNH2 (0.35) ALDH1A1POLBKDM4ETSHRGLS
SCHEMBL24366250 0.66 LOXL2 (0.57) SLC6A4PIM1PIM2
SCHEMBL30470272 0.66 LOXL2 (0.57) SLC6A4PIM1PIM2
SCHEMBL12263493 0.65 NPC1 (0.36) HRH3ALDH1A1POLBKDM4ETAAR1

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-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
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 — — EP 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 HRH3 2518/4885ALDH1A1 3224/4885POLB 3310/4885

“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.

Send feedback