SCHEMBL15260249

SCHEMBL15260249

Clc1cc(OCCCN2CCOCC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ HRH3 Q9Y5N1 4/20 0.57
▸ SIGMAR1 Q99720 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ SCN1A P35498 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ SCN2A Q99250 1/20 0.57
▸ SCN3A Q9NY46 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL15260226 0.93 KDM4E (0.66) ALDH1A1CYP1A2KDM4ENPC1TSHR
SCHEMBL1824079 0.87 KDM4E (0.56) ALDH1A1HRH3SIGMAR1KDM4ESMN1; SMN2
SCHEMBL22918726 0.83 HRH3 (0.57) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL29615558 0.83 HRH3 (0.57) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL6463317 0.80 GRM4 (0.58) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL23976303 0.80 LTA4H (0.57) ALDH1A1HRH3SIGMAR1MAPK1KDM4E
SCHEMBL18024049 0.78 MIF (0.56) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL18763439 0.77 ALDH1A1 (0.67) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL2700790 0.76 HRH3 (0.49) ALDH1A1HRH3SIGMAR1MAPK1CYP1A2
SCHEMBL2024990 0.76 KDM4E (0.58) ALDH1A1CYP1A2KDM4ENPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 — — 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 (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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD ALDH1A1 2417/4885HRH3 3179/4885SIGMAR1 1334/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS ALDH1A1 2684/4885HRH3 3441/4885SIGMAR1 383/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD ALDH1A1 2417/4885HRH3 3179/4885SIGMAR1 1334/4885

“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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