SCHEMBL20588191

SCHEMBL20588191

Nc1ccc(C(CCF)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.43
▸ MAOB P27338 4/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ APP P05067 1/20 0.30

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
SCHEMBL28364165 0.72 KIF11 (0.55) KIF11MAOBALDH1A1TDP1MAPT
SCHEMBL20588183 0.72 KIF11 (0.41) KIF11MAOBTAAR1ALDH1A1TDP1
SCHEMBL15697307 0.72 KIF11 (0.41) KIF11MAOBTAAR1LOXL2ALDH1A1
SCHEMBL20588960 0.71 ESRRG (0.40) KIF11ALDH1A1TDP1KDM4EMAPT
SCHEMBL20589069 0.70 EPHX2 (0.43) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL8179562 0.70 KIF11 (0.46) KIF11MAOBTAAR1LOXL2ALDH1A1
SCHEMBL18156587 0.69 KIF11 (0.50) KIF11MAOBALDH1A1TDP1KDM4E
SCHEMBL6680836 0.69 NR1H2 (0.41) —
SCHEMBL203678 0.67 ESR1 (0.56) KIF11MAOBTAAR1ALDH1A1TDP1
SCHEMBL2200527 0.67 KIF11 (0.54) KIF11MAOBTAAR1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2021-12-09 — — US disclosed
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2021-12-09 — — US disclosed
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators ASTRAZENECA AB (SE) 2021-06-15 — — US disclosed
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators ASTRAZENECA AB (SE) 2021-06-15 — — US disclosed
EP-3638661-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS Astrazeneca AB (SE) 2020-04-22 — — EP disclosed
US-20200115338-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2020-04-16 — — US disclosed
CN-110730780-A 2, 3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators 阿斯利康(瑞典)有限公司 2020-01-24 — — CN disclosed
WO-2018229155-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2018-12-20 — — 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 (3 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-20200115338-A1 NOVEL COMPOUNDS RORC, RORB, RORA KIF11 2594/4885MAOB 4633/4885TAAR1 1144/4885
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators RORA, RORC, RORB KIF11 3040/4885MAOB 4185/4885TAAR1 1664/4885
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS RORA, RORC, RORB KIF11 3040/4885MAOB 4185/4885TAAR1 1664/4885

“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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