SCHEMBL7096477

SCHEMBL7096477

N#CC1=C(N)Oc2cc(N3CCCC3)ccc2C1c1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
ESR2 Q92731 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MPO P05164 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL4426711 0.82 MEN1 (1.00) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL5959399 0.79 TUBB4A (0.68) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL4334953 0.77 MEN1 (0.73) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL4330162 0.77 MEN1 (0.76) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL4424611 0.74 MEN1 (0.69) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL5959427 0.71 TUBB4A (0.66) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL5959326 0.71 TUBB4A (0.65) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL4335448 0.69 MEN1 (0.76) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL8539602 0.69 MYB (0.71) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4426688 0.69 MEN1 (0.75) MEN1KMT2ANPC1ALDH1A1TSHR

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-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US claimed

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-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 MEN1 2109/4885KMT2A 3266/4885NPC1 2578/4885

“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.