SCHEMBL4519084

SCHEMBL4519084

CC(O)c1cc(C#Cc2ccccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR1 O14842 1/20 0.40
PTGES O14684 1/20 0.40
AKR1C3 P42330 1/20 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
SCHEMBL4524383 0.80 PDK1 (0.33)
SCHEMBL4519234 0.78 TSHR (0.44) GRM5NPC1RAB9AFFAR1
SCHEMBL4524088 0.75 ACACB (0.44)
SCHEMBL32681308 0.75 ERN1 (0.40) ERN1GRM5NPC1RAB9AFFAR1
SCHEMBL4520641 0.75 P2RY6 (0.40)
SCHEMBL4512933 0.74 HCRTR1 (0.37) ERN1GRM5NPC1HCRTR1RAB9A
SCHEMBL28709978 0.72 CASP3 (0.53) ERN1GRM5NPC1RAB9AFFAR1
SCHEMBL4519930 0.71 FFAR1 (0.42) GRM5NPC1RAB9AFFAR1
SCHEMBL4531614 0.70 FFAR1 (0.39) NPC1RAB9AFFAR1PTGES
SCHEMBL4525918 0.70 MAPT (0.39) NPC1RAB9APOLB

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-7566773-B2 Photolabile compound and substrate for oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-07-28 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 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-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same APBA1, B3GNT2, PCNA ERN1 3863/4885GRM5 3441/4885NPC1 3839/4885

“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.