SCHEMBL6695035

SCHEMBL6695035

N#Cc1cccc(C(N)=O)c1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50
PARP1 P09874 2/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
AKT1 P31749 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PIK3CA P42336 1/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 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
SCHEMBL5593099 0.87 KMO (0.44) AURKARPS6KB1TP53MEN1KMT2A
SCHEMBL28496853 0.80 AURKA (0.51) AURKARPS6KB1PARP1TP53ALDH1A1
SCHEMBL17979907 0.78 ALDH1A1 (0.58) AURKARPS6KB1PARP1ALDH1A1KDM4E
SCHEMBL4714644 0.75 FAAH (0.50) AURKARPS6KB1PARP1TP53HSD17B10
SCHEMBL25302480 0.75 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL28020044 0.72 CYP1A2 (0.50) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL325422 0.71 NPC1 (0.70) AURKARPS6KB1PARP1MEN1KMT2A
SCHEMBL29410870 0.71 NPC1 (0.70) AURKARPS6KB1PARP1MEN1KMT2A
SCHEMBL29482199 0.71 CNR1 (0.58) TP53MEN1KMT2AALDH1A1HTT
SCHEMBL4994306 0.70 ALDH1A1 (0.54) TP53ALDH1A1KDM4EHTTHPGD

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-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 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-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA AURKA 1556/4885RPS6KB1 1798/4885PARP1 3361/4885

“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.