SCHEMBL17207299

SCHEMBL17207299

Cc1cccc(-c2ncc(C)n2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
ADORA1 P30542 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL11978680 0.88 MEN1 (0.50) KMT2AALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL17207301 0.82 SCN2A (0.47) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL12759809 0.81 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL12247832 0.78 MEN1 (0.49) KMT2AALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL12571935 0.77 AVPR1A (0.61) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL9839379 0.74 OXTR (0.58) RAB9AKMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13713425 0.72 AVPR1A (0.48) KMT2AALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL10012459 0.72 MAPK1 (0.54) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL8011187 0.71 ESR1 (0.61) KMT2AALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL19237145 0.71 KMT2A (0.54) NPC1RAB9AKMT2AALDH1A1L3MBTL1

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-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 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-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 NPC1 2788/4885RAB9A 2280/4885KMT2A 1000/4885

“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.