SCHEMBL21036817

SCHEMBL21036817

CN1C(=O)CN=C1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.57
GABRG2 P18507 6/20 0.57
GABRB3 P28472 6/20 0.57
GABRA5 P31644 6/20 0.57
GABRA3 P34903 6/20 0.57
GABRA2 P47869 6/20 0.57
GABRB2 P47870 4/20 0.57
CCKBR P32239 1/20 0.57
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
CACNA1F O60840 1/20 0.49
ALB P02768 1/20 0.49
GABRB1 P18505 1/20 0.49
OPRK1 P41145 1/20 0.49
AKR1C3 P42330 1/20 0.49
GABRA4 P48169 1/20 0.49
AKR1C2 P52895 1/20 0.49
GABRE P78334 1/20 0.49
CACNA1D Q01668 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL4610431 0.88 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5369586 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27749209 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4789222 0.77 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4566026 0.77 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12567722 0.74 ADRA2B (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL877728 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30175096 0.73 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1544632 0.72 TDP1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24489357 0.70 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273018-A Amino-5- [4- (difluoromethoxy) phenyl] -5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) WYETH CORP (US) 2008-09-24 CN claimed
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed
CN-101663281-A Amino-5- [ 4- (difluoromethoxy) phenyl ] -5-phenylimidazolidinone compounds which inhibit the beta-secretase enzyme WYETH CORP 2010-03-03 CN disclosed
CN-101273018-A Amino-5- [4- (difluoromethoxy) phenyl] -5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) WYETH CORP (US) 2008-09-24 CN 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 (5 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF GABRA1 3672/4885GABRG2 4027/4885GABRB3 4102/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN GABRA1 2661/4885GABRG2 3275/4885GABRB3 3752/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B GABRA1 4398/4885GABRG2 4641/4885GABRB3 4711/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF GABRA1 3672/4885GABRG2 4027/4885GABRB3 4102/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B GABRA1 4398/4885GABRG2 4641/4885GABRB3 4711/4885

“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.