SCHEMBL3649880

SCHEMBL3649880

COc1ccc([N]C(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.55
MAPT P10636 2/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PTGS2 P35354 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL7047625 0.81 NOS3 (0.59) NOS3MAPTCES2CES1HTR3E
SCHEMBL3943573 0.78 NR1I2 (0.47) NOS3MAPTCES2CES1HTR3E
1,4-Dimethoxybenzene SCHEMBL28051166 0.76 CA1 (0.68) MAPTCES2CES1CA1CA2
SCHEMBL5061655 0.75 RAB9A (0.61) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5699982 0.75 TDP1 (0.54) MAPTCES2CES1HTR3EHTR3B
SCHEMBL14804097 0.74 NOS3 (0.50) NOS3MAPTCES2CES1HTR3E
SCHEMBL10656959 0.73 NOS3 (0.72) NOS3MAPTHTR3EHTR3BHTR3A
SCHEMBL5112456 0.73 NOS3 (0.72) NOS3MAPTHTR3EHTR3BHTR3A
SCHEMBL4334880 0.73 NOS3 (0.72) NOS3MAPTHTR3EHTR3BHTR3A
SCHEMBL4334877 0.73 NOS3 (0.72) NOS3MAPTHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP claimed
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP disclosed
US-8759348-B2 Use of 4-(pyrrolidin-1-yl)quinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2014-06-24 US disclosed
US-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US disclosed
EP-2182950-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS Helperby Therapeutics Limited (GB) 2010-05-12 EP disclosed
WO-2008142384-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2008-11-27 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 (1 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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL NOS3 590/4885MAPT 3487/4885CES2 480/4885

“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.