SCHEMBL344002

SCHEMBL344002

Clc1ccc(-n2cc[c]n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.48
F2 P00734 1/20 0.44
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
RAB9A P51151 2/20 0.36
FLT3 P36888 2/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
MGLL Q99685 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL7229166 0.81 NOTUM (0.47) NOTUMF2MAPTKDM4EADORA3
SCHEMBL1896258 0.81 NOTUM (0.47) NOTUMMAPTKDM4EADORA3RAB9A
SCHEMBL2751218 0.80 NOTUM (0.51) NOTUMRAB9AKCNH2NPC1
SCHEMBL69609 0.80 NOTUM (0.39) NOTUMMAPTKDM4EADORA3ADORA2A
SCHEMBL17797079 0.79 POLB (0.50) POLB
SCHEMBL2753518 0.78 NOTUM (0.42) NOTUM
SCHEMBL16719635 0.78 MAOA (0.39) NOTUMMAPTKDM4EFLT3GSK3B
SCHEMBL17710277 0.77 KCNH2 (0.41) NOTUMKCNH2
SCHEMBL7221616 0.76 HTT (0.44) ADORA3ADORA2ARAB9ACYP1A2MGLL
SCHEMBL7227796 0.76 NOTUM (0.54) NOTUMMAPTFLT3GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US claimed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
US-11242320-B2 Process for the preparation of Pyraclostrobin GSP CROP SCIENCE PVT. LTD. (IN) 2022-02-08 US claimed
US-20200354322-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRACLOSTROBIN GSP CROP SCIENCE PVT. LTD (IN) 2020-11-12 US claimed
CN-110461854-A Process for preparing chiral 2, 3-dihydrothiazolo [3,2-A ] pyrimidin-4-ium compounds BASF SE 2019-11-15 CN claimed
WO-2019142107-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRACLOSTROBIN GSP CROP SCIENCE PVT. LTD. (IN) 2019-07-25 WO claimed
CN-106117143-B A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2019-01-08 CN claimed
CN-109068645-A Mixtures and compositions comprising a paenibacillus strain or fusaricidin and a chemical pesticide 巴斯夫欧洲公司 2018-12-21 CN claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
CN-101026960-A Fungicidal mixtures of thiophene derivative DU PONT (US) 2007-08-29 CN claimed
EP-1802197-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2007-07-04 EP claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO claimed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO claimed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 US claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
CN-1870895-A Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2006-11-29 CN claimed
WO-2006040016-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-20 WO claimed

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-20200354322-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRACLOSTROBIN HPD, HPN, CPB1 NOTUM 408/4885F2 1803/4885MAPT 4428/4885
US-11242320-B2 Process for the preparation of Pyraclostrobin HPD, HPN, PPP3CB NOTUM 267/4885F2 1639/4885MAPT 4378/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 NOTUM 200/4885F2 3391/4885MAPT 4345/4885
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 NOTUM 2985/4885F2 3875/4885MAPT 1180/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 NOTUM 1768/4885F2 163/4885MAPT 4035/4885

“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.