SCHEMBL630107

SCHEMBL630107

Nc1cc2c(c(Br)c1OCc1ccccc1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAOB P27338 6/20 0.39
MAOA P21397 3/20 0.39
DHODH Q02127 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
RXRB P28702 5/20 0.37
RXRA P19793 4/20 0.37
RXRG P48443 3/20 0.37
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL8044819 0.84 TSHR (0.40) TSHRMAOBMAOADHODHTDP1
SCHEMBL630224 0.80 TSHR (0.38) TSHRMAOBMAOATHRATHRB
SCHEMBL629645 0.79 POLB (0.42) MAOBMAOADHODHTDP1THRA
SCHEMBL27921821 0.76 POLB (0.42) MAOBMAOADHODHTDP1THRA
SCHEMBL31359535 0.73 MAOB (0.39) MAOBMAOADHODHTDP1THRA
SCHEMBL25201648 0.71 MAOB (0.45) MAOBMAOADHODHTDP1THRA
SCHEMBL22802353 0.71 RXRB (0.49) MAOBMAOATDP1RXRBRXRA
SCHEMBL21050869 0.71 TSHR (0.45) TSHRMAOBMAOATDP1THRA
SCHEMBL630277 0.71 CHRNA7 (0.47) MAOBMAOATDP1RXRBRXRA
SCHEMBL3927959 0.69 KDM1A (0.43) TSHRMAOBMAOATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC TSHR 2240/4885MAOB 1091/4885MAOA 1695/4885

“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.