SCHEMBL22377002

SCHEMBL22377002

Cc1cccc(-c2cnc(-c3ccc(-c4ncnc(-c5ccccc5)n4)cc3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAP4K4 O95819 1/20 0.44
ADORA1 P30542 2/20 0.43
HPGDS O60760 2/20 0.42
DPP4 P27487 1/20 0.42
KMO O15229 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13680652 0.89 RAB9A (0.63) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL20040420 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17051598 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10128364 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL22377049 0.80 KMO (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL23763299 0.80 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4546946 0.80 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL18267901 0.80 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10330371 0.80 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL22376170 0.79 LMNA (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-08-27 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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, CCNA1, CCNE2 RAB9A 2119/4885NPC1 3114/4885SMN1; SMN2 2245/4885

“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.