Sugi Predict

Sugi Predict / Compounds / SCHEMBL456392

SCHEMBL456392

SCHEMBL456392

CCCOc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ GBA1 P04062 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ GABRA5 P31644 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41
▸ ACACB O00763 3/20 0.39

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
SCHEMBL3104534 0.90 KDM4E (0.44) KDM4EGBA1GABRA5GABRPGABRD
SCHEMBL3994090 0.89 CYP3A4 (0.49) KDM4EGBA1GABRA5GABRPGABRD
SCHEMBL9699977 0.87 CYP3A4 (0.51) KDM4EGBA1GABRA5RAB9ACYP3A4
SCHEMBL7564821 0.87 CYP3A4 (0.51) KDM4EGBA1GABRA5RAB9ACYP3A4
SCHEMBL7882592 0.87 CYP3A4 (0.51) KDM4EGBA1GABRA5RAB9ACYP3A4
SCHEMBL7079305 0.87 CYP3A4 (0.51) KDM4EGBA1GABRA5RAB9ACYP3A4
SCHEMBL7332235 0.87 CYP3A4 (0.51) KDM4EGBA1GABRA5RAB9ACYP3A4
SCHEMBL156935 0.83 MAPT (0.52) KDM4EGBA1HPGDGABRA5GABRP
SCHEMBL9082771 0.83 KDM4E (0.43) KDM4EGBA1HPGDGABRA5RAB9A
SCHEMBL22534188 0.83 KDM4E (0.40) KDM4EGBA1GABRA5GABRPGABRD

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 — — US disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 — — WO disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 — — US disclosed
EP-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 — — EP disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 — — US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 — — US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 — — US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 — — US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 — — US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 — — US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
EP-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 — — EP disclosed
EP-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 — — EP disclosed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 — — WO disclosed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 — — WO disclosed
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 — — US disclosed
EP-1673367-A1 FUSED LACTAM COMPOUNDS Pfizer, Inc. (US) 2006-06-28 — — EP disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 — — EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 — — WO disclosed
WO-2005035523-A1 FUSED LACTAM COMPOUNDS PFIZER JAPAN INC. (JP) 2005-04-21 — — 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 (4 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 KDM4E 2085/4885GBA1 1886/4885HPGD 1403/4885
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C KDM4E 764/4885GBA1 2265/4885HPGD 1162/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 KDM4E 2324/4885GBA1 1941/4885HPGD 2124/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT KDM4E 604/4885GBA1 3278/4885HPGD 2457/4885

“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.