SCHEMBL18159080

SCHEMBL18159080

COc1cc(CN)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28083206 0.87 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1L3MBTL1CYP2D6
SCHEMBL364995 0.82 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1CYP2D6
SCHEMBL27700248 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1L3MBTL1CYP2D6TDP1
SCHEMBL8089043 0.81 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL2736700 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1L3MBTL1CYP2D6TDP1
SCHEMBL24179406 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL4995768 0.80 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1CYP2D6
Methane SCHEMBL25287143 0.80 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1L3MBTL1CYP2D6TDP1
SCHEMBL6370714 0.79 ALDH1A1 (0.50) LMNASMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL517401 0.78 HTT (0.50) LMNASMN1; SMN2ALDH1A1TDP1MAPT

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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 LMNA 744/4885SMN1; SMN2 1653/4885ALDH1A1 1803/4885

“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.