SCHEMBL15811164

SCHEMBL15811164

O=[N+]([O-])c1c(-c2ccc3c(ccn3-c3ccccc3)c2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLA2G4A P47712 1/20 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
▸ NTSR1 P30989 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15796860 0.92 CYP3A4 (0.42) CYP3A4TSHRNTSR1LMNAPKM
SCHEMBL15811002 0.82 HPRT1 (0.41) CYP3A4TSHRPLA2G4AHDAC3HDAC4
SCHEMBL15796894 0.80 PLA2G4A (0.41) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18201473 0.79 CYP3A4 (0.56) CYP3A4TSHRHDAC4HDAC2HDAC8
SCHEMBL15477945 0.79 ALDH1A1 (0.50) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL15845410 0.77 LMNA (0.44) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL15845407 0.76 HTT (0.43) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL15617248 0.76 TSHR (0.40) CYP3A4TSHRLMNAPKMCYP11B1
SCHEMBL15845419 0.76 LMNA (0.36) CYP3A4LMNAPKMALDH1A1HPRT1
SCHEMBL15845430 0.76 LMNA (0.36) LMNAPKMALDH1A1HPRT1MEN1

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 CYP3A4 387/4885TSHR 3344/4885PLA2G4A 3204/4885

“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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