SCHEMBL4512933

SCHEMBL4512933

CC(O)c1cc(C#Cc2ccsc2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2A6 P11509 1/20 0.35
ERN1 O75460 1/20 0.34
GRM5 P41594 5/20 0.33
USP7 Q93009 1/20 0.33
IKBKB O14920 1/20 0.32
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDK1 Q15118 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4519234 0.81 TSHR (0.44) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL32681308 0.80 ERN1 (0.40) NPC1RAB9AMEN1KMT2AERN1
SCHEMBL4520641 0.77 P2RY6 (0.40) PDK1CYP3A4TSHRALDH1A1
SCHEMBL4524383 0.77 PDK1 (0.33) MEN1KMT2APDK1CYP3A4TSHR
SCHEMBL4519084 0.74 ERN1 (0.45) HCRTR1NPC1RAB9AERN1GRM5
SCHEMBL4524088 0.73 ACACB (0.44) MEN1KMT2ATSHRALDH1A1
SCHEMBL4519930 0.73 FFAR1 (0.42) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL4525918 0.72 MAPT (0.39) NPC1RAB9APOLBCYP3A4ALDH1A1
SCHEMBL4519091 0.72 VCAM1 (0.33) GRM5USP7ALDH1A1
SCHEMBL4531614 0.72 FFAR1 (0.39) NPC1RAB9AMEN1KMT2ACYP3A4

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 HCRTR1 3963/4885NPC1 3839/4885RAB9A 4580/4885

“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.