SCHEMBL989900

SCHEMBL989900

Fc1ccc(C#CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
FFAR1 O14842 1/20 0.39
APP P05067 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL2533168 0.85 APP (0.42) APP
SCHEMBL10300106 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL7717366 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL718949 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL4746422 0.80 GRM5 (0.41) GRM5FFAR1APPCA1CA2
Fluoride SCHEMBL31286313 0.79 GRM5 (0.48) GRM5FFAR1APPCA1CA2
Charcoal, Activated SCHEMBL31286307 0.79 GRM5 (0.48) GRM5FFAR1APPCA1CA2
SCHEMBL30486018 0.77 CYP1A1 (0.44) GRM5APP
SCHEMBL29868576 0.77 GRM5 (0.42) GRM5FFAR1APPCA1CA2
SCHEMBL8623669 0.76 SMN1; SMN2 (0.43) GRM5FFAR1APPMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107986970-B Polysubstituted aromatic hydrocarbon derivative and preparation method thereof 安徽师范大学 2020-06-19 CN claimed
CN-118063445-A Pyrrolidine amide derivatives and use thereof 广东东阳光药业股份有限公司 2024-05-24 CN disclosed
CN-118063444-A Azetidinamide derivatives and uses thereof 广东东阳光药业股份有限公司 2024-05-24 CN disclosed
CN-117304069-A Preparation method of 2, 2-disubstituted-4-phenylbutyronitrile derivative 常州大学 2023-12-29 CN disclosed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed
CN-111958890-B Diethynylbenzene tire release agent 浙江昂扬新材料科技有限公司 2022-04-19 CN disclosed
CN-110698369-B Method for synthesizing aryl acetylene alkyl sulfone compound based on alkyl fluoborate 台州学院 2021-08-24 CN disclosed
CN-111958890-A Diethynylbenzene tire release agent 浙江昂扬新材料科技有限公司 2020-11-20 CN disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GRM5 75/4885FFAR1 1387/4885APP 365/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A GRM5 80/4885FFAR1 1129/4885APP 143/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 GRM5 66/4885FFAR1 694/4885APP 3179/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C GRM5 57/4885FFAR1 1027/4885APP 323/4885

“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.