SCHEMBL7038232

SCHEMBL7038232

COCCOCCn1c(OC)nc(N)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
CYP1A2 P05177 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL7040447 0.88 MAPT (0.34) ALDH1A1CYP1A2MAPK1POLBMAPT
SCHEMBL7035193 0.84 MAOA (0.42) ALDH1A1CYP1A2KDM4EPKMMAPK1
SCHEMBL6778694 0.78 PDE4D (0.35) SMN1; SMN2PKMPOLBCDK9DYRK1A
SCHEMBL7036369 0.74 MTNR1A (0.38) ALDH1A1CYP1A2SMN1; SMN2KDM4ENPC1
SCHEMBL9305415 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBTDP1
SCHEMBL9300556 0.72 MAPT (0.39) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL7038766 0.69 KDM4E (0.46) ALDH1A1CYP1A2KDM4ERAB9AMAPK1
SCHEMBL7041805 0.67 TNF (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL21501985 0.66 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1PKM
SCHEMBL14982730 0.63 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1PKM

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 ALDH1A1 3453/4885CYP1A2 3347/4885SMN1; SMN2 1066/4885

“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.