SCHEMBL25825465

SCHEMBL25825465

CCC(C)(C)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.47
GPR35 Q9HC97 1/20 0.41
HTT P42858 4/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 6/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 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
SCHEMBL25825383 0.88 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL9107069 0.83 ALDH1A1 (0.46) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL2646002 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL29739450 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL25825634 0.82 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL29739317 0.81 ALDH1A1 (0.55) ALDH1A1HIF1AVCAM1GPR35HTT
SCHEMBL24711215 0.81 MAPK1 (0.50) ALDH1A1GPR35L3MBTL1LMNAMAPK1
SCHEMBL15157099 0.81 TSHR (0.53) ALDH1A1GPR35LMNAMAPK1ATM
SCHEMBL18110843 0.80 LMNA (0.44) ALDH1A1HIF1AVCAM1GAAL3MBTL1
SCHEMBL18111314 0.79 ALDH1A1 (0.42) ALDH1A1HIF1AVCAM1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 ALDH1A1 1303/4885HIF1A 281/4885VCAM1 26/4885

“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.