SCHEMBL3299928

SCHEMBL3299928

O=[N+]([O-])c1ccc2[nH]cc(C(F)(F)F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.52
▸ SLC6A4 P31645 2/20 0.47
▸ NQO2 P16083 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ GABRP O00591 2/20 0.45
▸ GABRD O14764 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRB1 P18505 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ GABRA4 P48169 2/20 0.45
▸ GABRE P78334 2/20 0.45
▸ GABRA6 Q16445 2/20 0.45
▸ GABRG1 Q8N1C3 2/20 0.45
▸ GABRG3 Q99928 2/20 0.45

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
SCHEMBL1464705 0.84 NQO2 (0.49) SLC6A4NQO2
SCHEMBL14107618 0.81 TUBB4A (0.37) KIF11SLC6A4GABRPGABRDGABRA1
SCHEMBL1771140 0.79 AR (0.60) KIF11CA12CA9
SCHEMBL15553635 0.79 TNFSF11 (0.53) KIF11SLC6A4NQO2PKMPKLR
SCHEMBL4787969 0.79 NQO2 (0.47) NQO2PKMPKLRGABRPGABRD
SCHEMBL28150089 0.78 TUBB4A (0.53) KIF11SLC6A4NQO2PKMPKLR
SCHEMBL2840984 0.77 MAPK1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3298386 0.76 LMNA (0.55) SLC6A4NQO2PKMPKLRCA12
SCHEMBL2948808 0.76 CLK1 (0.55) SLC6A4NQO2PKMPKLRCA12
SCHEMBL981675 0.76 NQO2 (0.49) SLC6A4NQO2PKMPKLRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 — — WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 — — CN disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 — — EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 KIF11 3378/4885SLC6A4 1685/4885NQO2 1171/4885

“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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