SCHEMBL1241306

SCHEMBL1241306

CN(C)CC(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
GSK3B P49841 2/20 0.57
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL16203497 0.94 ALDH1A1 (0.71) ALDH1A1KDM4EUSP2HDAC1HDAC8
SCHEMBL6665311 0.82 HDAC1 (0.53) ALDH1A1KDM4EUSP2HDAC1HDAC8
SCHEMBL28657721 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2RAB9ALMNA
SCHEMBL4734470 0.80 GSR (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL11754117 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EHDAC1HDAC8HDAC3
SCHEMBL23554948 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2GSK3BSMN1; SMN2
SCHEMBL5720470 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2RAB9ASMN1; SMN2
SCHEMBL3377472 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2SMN1; SMN2L3MBTL1
SCHEMBL8132385 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2GSK3BRAB9A
SCHEMBL3377479 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4048034-A Photopolymerization using an alpha-aminoacetophenone UOP INC. (US) 1977-09-13 US claimed
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
US-4048034-A Photopolymerization using an alpha-aminoacetophenone UOP INC. (US) 1977-09-13 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 ALDH1A1 3224/4885KDM4E 3818/4885USP2 4312/4885

“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.