SCHEMBL17422813

SCHEMBL17422813

Clc1ccc(CCc2cc3ccc(Br)cc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.42
▸ RHEB Q15382 2/20 0.39
▸ GPR183 P32249 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL17422899 0.91 AHR (0.39) AHRDRD3TAAR1
SCHEMBL17422721 0.88 DAO (0.42) DAORHEBGPR183LOXL2AHR
SCHEMBL17179281 0.85 AHR (0.45) LOXL2AHR
SCHEMBL17422789 0.84 GPR84 (0.43) DAOLOXL2EGFRIDO1
SCHEMBL17422839 0.82 NOS1 (0.36) IDO1GAA
SCHEMBL17433389 0.79 CYP19A1 (0.45) LOXL2AHRIDO1
SCHEMBL17422831 0.77 NOS1 (0.38) AHRIDO1
SCHEMBL17422875 0.77 IDH1 (0.43) GPR183LOXL2EGFRDRD3IDO1
SCHEMBL6989926 0.74 LOXL2 (0.49) DAORHEBGPR183LOXL2EGFR
SCHEMBL17433376 0.74 RAB9A (0.51) RHEB

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 7 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-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 3650/4885RHEB 885/4885GPR183 873/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 DAO 940/4885RHEB 1248/4885GPR183 3877/4885

“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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