SCHEMBL17422721

SCHEMBL17422721

Clc1cc(Cl)cc(CCc2cc3ccc(Br)cc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.42
▸ AHR P35869 2/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ RHEB Q15382 1/20 0.32
▸ ITK Q08881 1/20 0.32

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
SCHEMBL17422813 0.88 DAO (0.42) DAOAHRLOXL2GPR183IDO1
SCHEMBL17179281 0.85 AHR (0.45) AHRLOXL2NOS1METAP2DYRK1A
SCHEMBL17422899 0.84 AHR (0.39) AHRNOS1METAP2DYRK1AHRH4
SCHEMBL17422789 0.81 GPR84 (0.43) DAOLOXL2IDO1
SCHEMBL17422831 0.79 NOS1 (0.38) AHRNOS1METAP2DYRK1AIDO1
SCHEMBL17422839 0.79 NOS1 (0.36) NOS1METAP2DYRK1AIDO1ITK
SCHEMBL17433389 0.79 CYP19A1 (0.45) AHRLOXL2NOS1METAP2DYRK1A
SCHEMBL30811732 0.72 AHR (0.42) AHRLOXL2NOS1METAP2DYRK1A
SCHEMBL30920844 0.72 LOXL2 (0.58) AHRLOXL2NOS1METAP2DYRK1A
SCHEMBL28748192 0.72 AHR (0.42) AHRLOXL2NOS1METAP2DYRK1A

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
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — WO disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — 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 (2 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 DAO 3650/4885AHR 2790/4885LOXL2 3611/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 DAO 940/4885AHR 4643/4885LOXL2 2757/4885

“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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