SCHEMBL21942500

SCHEMBL21942500

Nc1ccccc1N1c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
KEAP1 Q14145 2/20 0.43
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2C P18825 1/20 0.41
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38

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
SCHEMBL17870867 0.80 TSHR (0.41) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL17882362 0.80 DPP4 (0.47) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL885606 0.77 SCN2A (0.57) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL29395615 0.77 SCN2A (0.57) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL17171655 0.74 ADRA2C (0.47) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14557127 0.73 POLB (0.50) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23586295 0.73 ADRA2C (0.47) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL21765588 0.73 GAA (0.45) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL31316643 0.73 MAOA (0.50) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL31316644 0.73 MAOA (0.50) GAAKDM4EALDH1A1L3MBTL1MEN1

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-10636979-B2 Heterocyclic compounds with dibenzazapine structures MERCK PATENT GMBH (DE) 2020-04-28 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-10636979-B2 Heterocyclic compounds with dibenzazapine structures DDT, MAOA, MAOB GAA 1138/4885KDM4E 1175/4885ALDH1A1 371/4885

“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.