SCHEMBL4520080

SCHEMBL4520080

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2E1 P05181 3/20 0.33
CYP2A6 P11509 3/20 0.33
CYP2B6 P20813 3/20 0.33
THPO P40225 1/20 0.33
VCAM1 P19320 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
APP P05067 1/20 0.32
PDK1 Q15118 1/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4520641 0.88 P2RY6 (0.40) MAPTALDH1A1LMNACYP2C19CYP3A4
SCHEMBL4519091 0.82 VCAM1 (0.33) MAPTALDH1A1LMNAVCAM1ALOX15
SCHEMBL4525918 0.82 MAPT (0.39) MAPTALDH1A1LMNACYP3A4CYP1A2
SCHEMBL4519234 0.81 TSHR (0.44) ALDH1A1CYP3A4TSHRGAAL3MBTL1
SCHEMBL4524383 0.80 PDK1 (0.33) MAPTALDH1A1LMNACYP3A4VCAM1
SCHEMBL2148284 0.76 LOXL2 (0.43) MAPTALDH1A1LMNACYP3A4VCAM1
SCHEMBL32681308 0.74 ERN1 (0.40) MAPTALDH1A1LMNACYP3A4CYP1A2
SCHEMBL4531614 0.74 FFAR1 (0.39) MAPTCYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL4519084 0.74 ERN1 (0.45)
SCHEMBL1890141 0.73 S100A4 (0.40) ALDH1A1LMNACYP3A4CYP1A2ALOX15

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 MAPT 92/4885ALDH1A1 825/4885LMNA 1607/4885

“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.