SCHEMBL25872505

SCHEMBL25872505

CC(C)(C)c1ccnc2ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PARP1 P09874 1/20 0.41
RIPK2 O43353 5/20 0.41
KDR P35968 4/20 0.41
MAPK14 Q16539 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL28819002 0.82 RIPK2 (0.47) ALDH1A1LMNAHTTALOX15HSD17B10
SCHEMBL17811239 0.80 RIPK2 (0.48) ALDH1A1ALOX15HSD17B10RIPK2KDR
SCHEMBL23479555 0.80 HTR1A (0.51) ALDH1A1LMNAHTTPARP1MEN1
SCHEMBL11891560 0.79 NR4A2 (0.56) PARP1RIPK2MEN1KMT2AMAPKAPK2
SCHEMBL14549680 0.79 CDK8 (0.45) PARP1RIPK2MAPK14
SCHEMBL18177884 0.79 SLC22A12 (0.49) ALDH1A1LMNAHTTRIPK2MAPT
SCHEMBL14372221 0.76 LMNA (0.55) LMNARIPK2KDRMAPTKDM4E
SCHEMBL26351985 0.76 KDM4E (0.43) RIPK2KDRMAPK14MEN1KMT2A
SCHEMBL3272504 0.76 SMN1; SMN2 (0.51) ALDH1A1LMNAHTTHSD17B10PARP1
SCHEMBL30819181 0.75 PARP1 (0.47) ALDH1A1LMNAHTTALOX15HSD17B10

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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 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 (2 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-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 ALDH1A1 3233/4885LMNA 2878/4885HTT 3559/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 ALDH1A1 3233/4885LMNA 2878/4885HTT 3559/4885

“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.