SCHEMBL2438891

SCHEMBL2438891

Nc1ccc2c(=O)c3ccc(O)cc3oc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.67
▸ KDM4E B2RXH2 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ CA12 O43570 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ LCK P06239 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ ESR2 Q92731 2/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ CASP1 P29466 3/20 0.53

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
SCHEMBL3879010 0.89 KDM4E (0.75) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1983479 0.89 MAOA (0.81) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL30468736 0.89 MAOA (0.81) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31613986 0.89 RAB9A (0.69) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1937499 0.89 RAB9A (0.69) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7337235 0.81 MAOA (0.77) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31423805 0.81 MAOA (0.77) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11618318 0.81 RAB9A (0.85) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2299504 0.80 MAOA (1.00) MAOAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1784468 0.80 KMT2A (0.76) MAOAKDM4EALDH1A1MAPTHSD17B10

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-8951938-B2 Combinatorial rosamine library to detect cell-state switching NEW YORK UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8951938-B2 Combinatorial rosamine library to detect cell-state switching NEW YORK UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8951938-B2 Combinatorial rosamine library to detect cell-state switching NEW YORK UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8026110-B2 For detecting and imaging cells; solid phase synthesis NEW YORK UNIVERSITY (US) 2011-09-27 — — US disclosed
US-8026110-B2 For detecting and imaging cells; solid phase synthesis NEW YORK UNIVERSITY (US) 2011-09-27 — — US disclosed
US-8026110-B2 For detecting and imaging cells; solid phase synthesis NEW YORK UNIVERSITY (US) 2011-09-27 — — US disclosed
US-20090227467-A1 COMBINATORIAL ROSAMINE LIBRARY TO DETECT CELL-STATE SWITCHING NEW YORK UNIVERSITY (US) 2009-09-10 — — US disclosed
US-20090227467-A1 COMBINATORIAL ROSAMINE LIBRARY TO DETECT CELL-STATE SWITCHING NEW YORK UNIVERSITY (US) 2009-09-10 — — US disclosed
US-20090227467-A1 COMBINATORIAL ROSAMINE LIBRARY TO DETECT CELL-STATE SWITCHING NEW YORK UNIVERSITY (US) 2009-09-10 — — US disclosed
US-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF NEW YORK UNIVERSITY (US) 2008-05-29 — — US disclosed
US-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF NEW YORK UNIVERSITY (US) 2008-05-29 — — US disclosed
US-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF NEW YORK UNIVERSITY (US) 2008-05-29 — — 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-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF RXFP1, RXFP2, CX3CR1 MAOA 90/4885KDM4E 4545/4885ALDH1A1 91/4885

“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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