SCHEMBL30310860

SCHEMBL30310860

NC(=O)c1cnc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.47
▸ PARP1 P09874 2/20 0.43
▸ TGFBR1 P36897 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38

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
SCHEMBL22346775 0.86 ALDH1A1 (0.56) KMT2AKDM4EDHFRCES2ALDH1A1
SCHEMBL22955472 0.79 TGFBR1 (0.49) KMT2AKDM4ETGFBR1ALDH1A1HPGD
SCHEMBL30387658 0.78 BACE1 (0.58) KMT2ABACE1SCN9A
SCHEMBL27902504 0.78 BACE1 (0.58) KMT2ABACE1SCN9A
SCHEMBL31603641 0.76 TGFBR1 (0.43) KDM4ETGFBR1ALDH1A1HPGDALOX15
SCHEMBL27244259 0.76 HPGDS (0.57) KMT2AKDM4EPARP1BACE1MAPK1
SCHEMBL7449066 0.76 KMT2A (0.47) KMT2AKDM4EPARP1BACE1MAPK1
SCHEMBL5679852 0.76 BACE1 (0.59) KDM4EBACE1EPHX2SCN4A
SCHEMBL10849169 0.76 KDM4E (0.59) KDM4EPARP1BACE1DHFRCES2
Trifluoroacetic Acid SCHEMBL5480884 0.74 ALDH1A1 (0.60) KDM4ETGFBR1ALDH1A1HPGDALOX15

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-11958840-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2024-04-16 — — US disclosed
US-20230114472-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2023-04-13 — — 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-11958840-B2 Compounds, compositions and methods EIF4EBP1, EIF4B, EIF4E KMT2A 3876/4885KDM4E 2319/4885PARP1 1400/4885
US-20230114472-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E KMT2A 3876/4885KDM4E 2319/4885PARP1 1400/4885

“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.

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