SCHEMBL3235973

SCHEMBL3235973

O=C(NCC(c1ccccc1)c1ccccc1)c1nc(-c2cc(Br)c(O)c(Br)c2O)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ TACR1 P25103 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MASP2 O00187 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ TYR P14679 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ P2RX7 Q99572 2/20 0.33

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
SCHEMBL3237497 0.79 MAPK14 (0.44) THRATHRBLMNAMASP2F2
SCHEMBL3234653 0.78 TTR (0.37) NR1H4TYRGAA
SCHEMBL3242420 0.73 ROCK1 (0.49) ROCK2
SCHEMBL3243969 0.73 HPGDS (0.47) NR1H4HDAC1HDAC8HDAC6LMNA
SCHEMBL3236059 0.70 MAPT (0.42) GAA
SCHEMBL3232837 0.65 ENPP2 (0.47) THRATHRBHDAC1LMNAMASP2
SCHEMBL1114530 0.65 PTPN1 (0.43) THRATHRBTACR1LMNAGAA
SCHEMBL31530570 0.64 LMNA (0.46) TACR1HDAC1LMNAP2RX7
SCHEMBL3235959 0.64 HPGDS (0.47) NR1H4LMNAROCK2
SCHEMBL27966314 0.62 NR1H4 (0.52) NR1H4HDAC1HDAC8HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US claimed
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO claimed
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 THRA 2202/4885THRB 1456/4885TACR1 102/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 THRA 1091/4885THRB 716/4885TACR1 123/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 THRA 2202/4885THRB 1456/4885TACR1 102/4885

“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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