SCHEMBL1744174

SCHEMBL1744174

O=C1COc2cc(Br)[c]cc2N1CCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 3/20 0.34
PLK1 P53350 1/20 0.34
CHRM1 P11229 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL2 Q8N8U2 1/20 0.33
CDYL Q9Y232 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 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
SCHEMBL1746123 0.83 CHRM1 (0.39) KMOTSHRHTTALDH1A1USP30
SCHEMBL1744113 0.80 CYP11B2 (0.42) KMOTSHRHTTPLK1
SCHEMBL3345870 0.75 KMO (0.42) KMOTSHRHTTALDH1A1USP30
SCHEMBL1744203 0.73 HDAC1 (0.36) MEN1KMT2APOLBCHRM1
SCHEMBL3346100 0.72 KMO (0.44) KMOTSHRHTTALDH1A1MEN1
SCHEMBL7358743 0.72 ALDH1A1 (0.61) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL5799186 0.70 KMO (0.52) KMOTSHRHTTALDH1A1USP30
SCHEMBL3343368 0.70 THRB (0.43) KMOTSHRHTTALDH1A1POLB
SCHEMBL18031263 0.68 ALDH1A1 (0.46) KMOTSHRALDH1A1POLBPLK1
SCHEMBL8897317 0.68 RORC (0.41) TSHRHTTALDH1A1POLBPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 KMO 2960/4885TSHR 526/4885HTT 1502/4885

“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.