SCHEMBL12270194

SCHEMBL12270194

Cc1nc(-c2ccccc2)oc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 8/20 0.44
▸ RAB9A P51151 8/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ HPGD P15428 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ USP1 O94782 1/20 0.40
▸ USP19 O94966 1/20 0.40
▸ WDR48 Q8TAF3 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL1984902 0.86 GAA (0.49) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7737616 0.77 MAPT (0.40) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14445783 0.77 GAA (0.51) GAANPC1RAB9AHPGDKDM4E
SCHEMBL436384 0.76 GAA (0.57) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL26066840 0.76 KDM4E (0.50) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2792875 0.76 IKBKB (0.50) GAANPC1RAB9AHPGDKDM4E
SCHEMBL1981913 0.75 GAA (0.49) GAASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL15716531 0.75 IKBKB (0.56) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL869242 0.75 GAA (0.51) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17540833 0.74 KDM4E (0.49) GAANPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 — — US disclosed
US-20170369462-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-28 — — US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 — — US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 — — US disclosed
US-20150080349-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2015-03-19 — — US disclosed
US-8815943-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-26 — — US disclosed
US-20110212860-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-01 — — US disclosed
US-7910622-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-22 — — US disclosed
US-7910622-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-22 — — US disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 — — US disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 — — 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 (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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP GAA 4567/4885NPC1 4862/4885RAB9A 4321/4885
US-20170369462-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP GAA 4567/4885NPC1 4862/4885RAB9A 4321/4885
US-20110212860-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP GAA 4567/4885NPC1 4862/4885RAB9A 4321/4885
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP GAA 4567/4885NPC1 4862/4885RAB9A 4321/4885
US-20150080349-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP GAA 4567/4885NPC1 4862/4885RAB9A 4321/4885

“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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