SCHEMBL12372827

SCHEMBL12372827

CC(=O)Nc1ccc(-c2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.77
CYP1A2 P05177 1/20 0.68
MAPK1 P28482 1/20 0.68
APOBEC3A P31941 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
NAPRT Q6XQN6 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 4/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TAAR1 Q96RJ0 1/20 0.58
POLB P06746 1/20 0.58
RXFP1 Q9HBX9 2/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57

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
SCHEMBL171741 0.85 L3MBTL1 (0.83) L3MBTL1SMN1; SMN2HTTNAPRTHSD17B10
SCHEMBL14189570 0.81 SMN1; SMN2 (0.58) NQO2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL13200891 0.81 CYP1A2 (1.00) NQO2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL19003466 0.80 NQO2 (0.56) NQO2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL18985528 0.80 NQO2 (0.56) NQO2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL28305720 0.80 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2HTTNAPRTHSD17B10
Acetanilide SCHEMBL8761741 0.79 NAPRT (0.86) NQO2L3MBTL1SMN1; SMN2HTTNAPRT
Biphenyl SCHEMBL9009636 0.79 NAPRT (0.86) NQO2L3MBTL1SMN1; SMN2HTTNAPRT
Hydrogen Sulfide SCHEMBL27704711 0.79 SMN1; SMN2 (0.64) L3MBTL1SMN1; SMN2HTTNAPRTHSD17B10
Acetic Acid SCHEMBL28306932 0.79 SMN1; SMN2 (0.64) L3MBTL1SMN1; SMN2HTTNAPRTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 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-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, TYR, EML4 NQO2 3282/4885CYP1A2 718/4885MAPK1 2533/4885

“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.