SCHEMBL3234653

SCHEMBL3234653

O=C(O)c1nc(-c2cc(Br)c(O)c(Br)c2O)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.36
▸ GPR35 Q9HC97 2/20 0.35
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ TYR P14679 2/20 0.34
▸ AMY1A P0DUB6 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL3236059 0.82 MAPT (0.42) RAB9ANPC1SMN1; SMN2TSHRKDM4E
SCHEMBL3236138 0.80 TTR (0.44) TTRCSNK2A1AKR1C4AKR1C3AKR1C2
SCHEMBL3235973 0.78 THRA (0.39) TYRNR1H4GAA
SCHEMBL3237497 0.74 MAPK14 (0.44) SMN1; SMN2HTT
SCHEMBL5048867 0.74 ECE1 (0.42) TYRRAB9ANR1H4NPC1SMN1; SMN2
SCHEMBL31401011 0.68 LMNA (0.55) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL14098391 0.68 SMN1; SMN2 (0.61) TYRAMY1ARAB9ANPC1SMN1; SMN2
SCHEMBL31401013 0.68 KEAP1 (0.40) CSNK2A1TYRAMY1ARAB9ANR1H4
SCHEMBL7039369 0.68 GABRA1 (0.55) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL168669 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 TTR 1560/4885CSNK2A1 1445/4885GPR35 601/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 TTR 459/4885CSNK2A1 1445/4885GPR35 452/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 TTR 1560/4885CSNK2A1 1445/4885GPR35 601/4885

“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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