SCHEMBL15811002

SCHEMBL15811002

O=[N+]([O-])c1ccc2ccccc2c1-c1ccc2c(ccn2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.41
▸ PLA2G4A P47712 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ BIRC5 O15392 1/20 0.34

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
SCHEMBL15811164 0.82 CYP3A4 (0.41) HPRT1PLA2G4AALDH1A1HDAC3HDAC4
SCHEMBL15796894 0.81 PLA2G4A (0.41) PLA2G4AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15477945 0.80 ALDH1A1 (0.50) PLA2G4AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15796896 0.78 BIRC5 (0.42) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL15481629 0.78 PLA2G4A (0.39) PLA2G4AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL17177972 0.77 ALDH1A1 (0.47) PLA2G4AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL6241864 0.76 ALDH1A1 (0.56) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL15618106 0.76 ALDH1A1 (0.51) HPRT1PLA2G4AALDH1A1HDAC3HDAC4
SCHEMBL16932211 0.75 FGFR1 (0.41) PLA2G4AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15801782 0.75 ALDH1A1 (0.41) HPRT1ALDH1A1TSHRTDP1CASP6

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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — US disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — US disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — US disclosed
US-20140374724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2014-12-25 — — US disclosed
WO-2014092478-A1 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO 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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same IDO1, IDO2, KYNU HPRT1 2380/4885PLA2G4A 3204/4885ALDH1A1 458/4885

“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.

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