SCHEMBL2890480

SCHEMBL2890480

O=[N+]([O-])c1ccccc1CNc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 7/20 0.49
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDO2 P48775 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.46
ALDH3A1 P30838 1/20 0.46
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE7A Q13946 1/20 0.42
PHGDH O43175 1/20 0.42

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
SCHEMBL3659532 0.89 LMNA (0.48) MAPTL3MBTL1MAPK1ALDH1A1HTR2A
SCHEMBL641831 0.78 HPGD (0.65) MAPTL3MBTL1ALDH1A1LMNANPC1
SCHEMBL2888466 0.78 HTR2A (0.54) MAPTL3MBTL1ALDH1A1HTR2ASLC6A4
SCHEMBL13067502 0.78 HTR2A (0.50) MAPTL3MBTL1ALDH1A1HTR2ASLC6A4
SCHEMBL27971590 0.77 MAPT (0.71) MAPTL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL13067611 0.77 HTR2A (0.56) MAPTL3MBTL1HTR2ASLC6A4LMNA
SCHEMBL2884678 0.77 RAB9A (0.52) MAPTL3MBTL1ALDH1A1HTR2ASLC6A4
SCHEMBL2888605 0.76 HTR2A (0.51) MAPTL3MBTL1ALDH1A1HTR2ASLC6A4
SCHEMBL2890291 0.75 MAPT (0.59) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL13028326 0.74 HTR2A (0.51) MAPTL3MBTL1ALDH1A1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 MAPT 4877/4885L3MBTL1 2881/4885MAPK1 4456/4885

“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.