SCHEMBL20021712

SCHEMBL20021712

CC(C)c1ccc2c(cnn2C(C)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 0.38
▸ PARP15 Q460N3 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ABCB1 P08183 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ GCGR P47871 5/20 0.33
▸ CASR P41180 3/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ACLY P53396 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SCN4A P35499 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL21509551 0.90 NR3C1 (0.38) NR3C1PARP15PARP10TNKS2PARP2
SCHEMBL20021711 0.87 KMO (0.40) PARP15PARP10TNKS2PARP2HTR2A
SCHEMBL14015636 0.86 NR3C1 (0.42) NR3C1PARP15PARP10TNKS2PARP2
SCHEMBL25917046 0.80 CHEK1 (0.50) HTR2AHTR2CABCB1ABCG2HDAC8
SCHEMBL5999129 0.77 PLA2G7 (0.43) NR3C1PLA2G7MGLLABHD6MAPK1
SCHEMBL20025157 0.77 KMO (0.40) PARP15PARP10TNKS2PARP2HTR2A
SCHEMBL25613933 0.76 NR3C1 (0.37) NR3C1PARP15PARP10TNKS2PARP2
SCHEMBL28298298 0.76 NR3C1 (0.37) NR3C1PARP15PARP10TNKS2PARP2
Hydrochloric Acid SCHEMBL29268015 0.74 HTR2A (0.39) NR3C1HTR2AHTR2CABCB1ABCG2
SCHEMBL21140434 0.73 NR3C1 (0.41) NR3C1HTR2AHTR2CABCB1ABCG2

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-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 — — 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-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL NR3C1 1778/4885PARP15 2139/4885PARP10 2153/4885

“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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