SCHEMBL27090488

SCHEMBL27090488

COc1cc(OC)c(C=NC(C)(C)Cc2ccccc2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 1/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.39
CYP1B1 Q16678 3/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A1 P04798 2/20 0.37
G6PC1 P35575 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27090467 0.86 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL27090463 0.79 LMNA (0.45) HPGDALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL27090511 0.78 LMNA (0.42) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL27090461 0.78 LMNA (0.42) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL27090502 0.75 LMNA (0.50) HPGDALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL27090489 0.75 RAB9A (0.46) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL27090471 0.71 LMNA (0.42) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA
SCHEMBL18880336 0.71 PTPN1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19PTPN1
SCHEMBL23634786 0.66 LMNA (0.54) HPGDALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL18482099 0.65 LMNA (0.50) HPGDALDH1A1CYP1A2LMNACYP1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051897-A1 SYNTHESIS OF COMPLEX 15N-LABELED MOLECULES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-02-15 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-20240051897-A1 SYNTHESIS OF COMPLEX 15N-LABELED MOLECULES NCLN, NCL, NDUFV3 SMN1; SMN2 1816/4885HPGD 584/4885ALDH1A1 2928/4885

“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.