SCHEMBL4134572

SCHEMBL4134572

O=C([CH]c1cccc2ccccc12)Nc1cc2ccccc2cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
CYP2D6 P10635 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
C5AR1 P21730 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 4/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40

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
SCHEMBL4130033 0.83 NPC1 (0.43) MAPTNPC1RAB9AMEN1POLB
SCHEMBL4131792 0.77 SENP1 (0.50) MAPTALDH1A1KMT2A
SCHEMBL2993876 0.76 BRD4 (0.69) GAAMEN1KMT2ABRD4CTSV
SCHEMBL407877 0.73 CMA1 (0.58) MRGPRX4CYP2D6MAPTALDH1A1GAA
SCHEMBL10260987 0.70 CMA1 (0.45) MRGPRX4CYP2D6MAPTRAB9AL3MBTL1
SCHEMBL23541164 0.69 LRRK2 (0.49) L3MBTL1MEN1POLBKMT2ABRD4
SCHEMBL23539625 0.69 TDP1 (0.50) CYP2D6SMN1; SMN2RAB9AL3MBTL1BRD4
SCHEMBL30559871 0.69 TDP1 (0.50) CYP2D6SMN1; SMN2RAB9AL3MBTL1BRD4
SCHEMBL23539478 0.69 TDP1 (0.50) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL29043357 0.68 TDP1 (0.49) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1

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-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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 (2 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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 MRGPRX4 1256/4885CYP2D6 2579/4885MAPT 3306/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 MRGPRX4 1256/4885CYP2D6 2579/4885MAPT 3306/4885

“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.