SCHEMBL7041805

SCHEMBL7041805

COC(=O)C=CCn1c(OC)nc(N)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NFE2L2 Q16236 4/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TTR P02766 1/20 0.31
APP P05067 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
GRK6 P43250 1/20 0.31
MAPT P10636 1/20 0.30
FDPS P14324 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMB5 P28074 1/20 0.30
PSMB2 P49721 1/20 0.30
PTPN1 P18031 1/20 0.30
KEAP1 Q14145 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
SCHEMBL9305415 0.78 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EKMT2ASMN1; SMN2
SCHEMBL7036369 0.71 MTNR1A (0.38) TNFALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL7038766 0.71 KDM4E (0.46) ALDH1A1TSHRKDM4EKMT2AMAPT
SCHEMBL6778694 0.67 PDE4D (0.35) NFE2L2KMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL9300556 0.66 MAPT (0.39) ALDH1A1KMT2AMAPT
SCHEMBL16120763 0.62 CA12 (0.45) ALDH1A1KDM4EKMT2AMAPT
SCHEMBL6637452 0.61 TP53 (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL6637459 0.61 TP53 (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL30154067 0.57 TBXAS1 (0.54) TNFALDH1A1KDM4E
SCHEMBL91342 0.57

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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 US disclosed
WO-2003011297-A1 N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS (US) 2003-02-13 WO 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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections MPHOSPH6, MRPS18A, PNP TNF 4650/4885ADORA3 1882/4885ALDH1A1 3453/4885

“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.