SCHEMBL18824201

SCHEMBL18824201

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2cc(Br)ccc2s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.61
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HPN P05981 1/20 0.60
▸ DYRK1A Q13627 1/20 0.60
▸ MAPT P10636 5/20 0.58
▸ GAA P10253 1/20 0.58
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ EPHX1 P07099 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL18849022 0.88 DYRK1A (0.62) HSD17B10MEN1KMT2ASMN1; SMN2DYRK1A
SCHEMBL18824175 0.87 KDR (0.58) HSD17B10MEN1KMT2ADYRK1AMAPT
SCHEMBL18851085 0.83 DYRK1A (0.66) HSD17B10MEN1KMT2ASMN1; SMN2DYRK1A
SCHEMBL18824200 0.83 DYRK1A (0.62) HSD17B10MEN1KMT2ASMN1; SMN2DYRK1A
SCHEMBL14270516 0.83 MAPT (0.64) HSD17B10MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18824262 0.83 MAPT (0.71) HSD17B10MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18824173 0.80 RAB9A (0.71) HSD17B10MEN1KMT2ASMN1; SMN2DYRK1A
SCHEMBL18824178 0.79 DYRK1A (0.57) MEN1KMT2ASMN1; SMN2DYRK1AMAPT
SCHEMBL8559872 0.78 HTT (0.73) MEN1KMT2ASMN1; SMN2HPNMAPT
SCHEMBL6308055 0.78 SMN1; SMN2 (0.61) HSD17B10MEN1KMT2ASMN1; 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 3 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
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 HSD17B10 1533/4885MEN1 521/4885KMT2A 4107/4885

“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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