SCHEMBL18849023

SCHEMBL18849023

COc1cc2[nH]c(-c3cc4ccc(Br)cc4[nH]3)cc2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.37
▸ IDH1 O75874 5/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ PDGFRB P09619 1/20 0.35

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
SCHEMBL18851251 0.81 LMNA (0.50) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL18851095 0.80 ITK (0.37) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL18851604 0.80 ITK (0.37) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL18851432 0.80 KDM4E (0.45) ALDH1A1MAPTKDM4EITKIDH1
SCHEMBL18851607 0.79 S1PR4 (0.37) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL18851162 0.78 PTGDR2 (0.44) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18851606 0.78 S1PR4 (0.36) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL17433431 0.78 ITK (0.51) ALDH1A1RAB9ACYP19A1ITKESR1
SCHEMBL17422751 0.77 FLT3 (0.58) MEN1MAPTKMT2AKDM4ERAB9A
SCHEMBL18851161 0.76 TSHR (0.41) MEN1ALDH1A1MAPTKMT2AHPGD

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 2 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
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 AMY1A 1348/4885MEN1 521/4885ALDH1A1 803/4885

“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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