SCHEMBL3790969

SCHEMBL3790969

Nc1ccc(-c2cc(NC(=O)OCc3ccccc3)ccc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.57
PTPN1 P18031 1/20 0.55
ENPP2 Q13822 3/20 0.53
KDM1A O60341 4/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
RCOR1 Q9UKL0 3/20 0.51
ROCK2 O75116 2/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL3785430 0.94 MGLL (0.65) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL3790297 0.90 MGLL (0.57) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL3780622 0.88 MGLL (0.62) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL3780763 0.86 MGLL (0.58) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL3784570 0.86 ROCK2 (0.66) MGLLENPP2KDM1AMAOAMAOB
SCHEMBL3786345 0.85 KDM1A (0.60) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL1707562 0.84 POLB (0.68) MGLLENPP2KDM1AMAOAMAOB
SCHEMBL3796516 0.84 MGLL (0.65) MGLLPTPN1ENPP2KDM1AMAOA
SCHEMBL3789318 0.82 MGLL (0.85) MGLLPTPN1ENPP2TP53MAPT
SCHEMBL3787405 0.81 MGLL (0.58) MGLLPTPN1ENPP2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MGLL 1314/4885PTPN1 3179/4885ENPP2 1920/4885

“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.