SCHEMBL19322145

SCHEMBL19322145

c1ccc2nc3[nH]c4c5cc6ccccc6nc5[nH]c4c3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
GLA P06280 3/20 0.50
MAPT P10636 3/20 0.50
PDE2A O00408 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
ACHE P22303 1/20 0.50
GAA P10253 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
PTBP1 P26599 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NQO2 P16083 1/20 0.43
IDO1 P14902 1/20 0.41
MAP4K4 O95819 2/20 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
SCHEMBL19322249 0.89 PDE3B (0.50) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL2422471 0.79 POLB (0.58) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL18227086 0.76 PDE2A (0.51) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL29407008 0.76 PDE3B (0.65) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL5469928 0.71 MAPT (0.82) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL22717090 0.71 PDE2A (0.50) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL10333619 0.71 GAA (0.57) ALDH1A1HPGDGLAMAPTPDE2A
SCHEMBL4299906 0.70 ALDH1A1 (0.70) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL26749714 0.70 ALDH1A1 (0.62) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL12897717 0.69 ALDH1A1 (0.41) ALDH1A1HPGDGLAMAPTGAA

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-20170256721-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2017-09-07 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-20170256721-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME C1R, C1S, CCNT1 ALDH1A1 3496/4885HPGD 2465/4885GLA 3540/4885

“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.