SCHEMBL3645649

SCHEMBL3645649

CCOC(=O)C=C(C)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ GPR55 Q9Y2T6 2/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ LTA4H P09960 4/20 0.55
▸ NOX1 Q9Y5S8 2/20 0.55
▸ MAPT P10636 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL3645648 1.00 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1GPR55CASP3
SCHEMBL5040554 0.87 MEN1 (0.55) ALDH1A1RAB9ANPC1GPR55CASP3
SCHEMBL5040549 0.87 MEN1 (0.55) ALDH1A1RAB9ANPC1GPR55CASP3
SCHEMBL3693754 0.85 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1GPR55CASP3
SCHEMBL3693757 0.85 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1GPR55CASP3
SCHEMBL11715321 0.85 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11715338 0.85 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1974848 0.84 MAPT (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1717228 0.84 MAPT (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1717226 0.84 MAPT (0.51) ALDH1A1RAB9ANPC1SMN1; 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 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 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
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 — — 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 ALDH1A1 377/4885RAB9A 1593/4885NPC1 1039/4885

“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.

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