SCHEMBL20661007

SCHEMBL20661007

CCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
HPSE Q9Y251 3/20 0.50
NPBWR1 P48145 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DGAT1 O75907 1/20 0.48
KCNH2 Q12809 1/20 0.48
EGFR P00533 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL20660944 0.89 EGFR (0.58) HPSENPBWR1DGAT1KCNH2EGFR
SCHEMBL20661102 0.87 KDM4E (0.59) HPSENPBWR1TP53MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL29002249 0.80 NPBWR1 (0.54) NPBWR1DGAT1KCNH2
SCHEMBL6323581 0.79 NR2E3 (0.55) TP53MAPTSMN1; SMN2
SCHEMBL15245153 0.78 DGAT1 (0.54) HPSENPBWR1DGAT1KCNH2
SCHEMBL29698856 0.78 NPBWR1 (0.57) HPSENPBWR1TP53MAPTSMN1; SMN2
SCHEMBL20001630 0.78 NPBWR1 (0.57) HPSENPBWR1TP53MAPTSMN1; SMN2
SCHEMBL15245155 0.78 DGAT1 (0.56) NPBWR1DGAT1KCNH2
SCHEMBL15245140 0.78 DGAT1 (0.67) NPBWR1DGAT1KCNH2
SCHEMBL15245237 0.77 KIF11 (0.59) NPBWR1DGAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 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 (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-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB PARP1 3872/4885HPSE 1893/4885NPBWR1 462/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB PARP1 3872/4885HPSE 1893/4885NPBWR1 462/4885

“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.