SCHEMBL4882865

SCHEMBL4882865

Cc1[nH]c2c[c]ccc2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
KMT2A Q03164 6/20 0.39
LMNA P02545 6/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MITF O75030 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 9/20 0.37
NPC1 O15118 4/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2734801 0.87 NR4A2 (0.40) NR4A2KMT2ALMNARAB9AALDH1A1
SCHEMBL3624515 0.76 NR4A2 (0.65) NR4A2KMT2ALMNARAB9AALDH1A1
SCHEMBL3483291 0.73 NR4A2 (0.41) NR4A2KMT2ALMNARAB9AALDH1A1
SCHEMBL4847195 0.73 AHR (0.52) RAB9AALDH1A1MAPTNPC1HSD17B10
SCHEMBL5676154 0.72 ITGB3 (0.32)
SCHEMBL693676 0.72 AHR (0.32)
SCHEMBL5670227 0.68 MAP2 (0.40) KMT2ARAB9AALDH1A1MAPTNPC1
SCHEMBL3628074 0.68 MAP2 (0.50) LMNAMAPTGAASMN1; SMN2PTGS1
SCHEMBL166213 0.68 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL2466230 0.67 JAK2 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2MAPK1

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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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 (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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 NR4A2 82/4885KMT2A 1119/4885LMNA 3369/4885

“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.