SCHEMBL2099368

SCHEMBL2099368

BrCCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.40
HRH1 P35367 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 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
SCHEMBL10368003 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
Bromide SCHEMBL737145 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL21486302 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
Bromide SCHEMBL10367665 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1944808 0.97
Hydrochloric Acid SCHEMBL17106615 0.94 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
Bromide SCHEMBL735632 0.94 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL27885747 0.92 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL9680108 0.90 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL9678968 0.90 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-11 CN disclosed
CN-117126159-A Water-soluble evodiamine derivative and application thereof 南华大学附属第一医院 2023-11-28 CN disclosed
EP-4219499-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-08-02 EP disclosed
CN-116322699-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-06-23 CN disclosed
WO-2022063303-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2022-03-31 WO disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-4549023-A ANTINFLAMMATORY AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-22 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
US-4474964-A 3-Aminoindazole derivatives ASAHI, KASEI, KOGYO, KABUSHIKI, KAISHA (JP) 1984-10-02 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-RE28935-E PSYCHOSEDATIVES, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 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 (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-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION HAVCR2, AZI2, ZC3HAV1 HRH3 4041/4885CYP1A2 18/4885MAPK1 3833/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 HRH3 4077/4885CYP1A2 271/4885MAPK1 1910/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 HRH3 2805/4885CYP1A2 392/4885MAPK1 2536/4885

“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.