Sugi Predict

Sugi Predict / Compounds / SCHEMBL19383197

SCHEMBL19383197

SCHEMBL19383197

CC1(C)c2cc(-c3ccc4ccccc4c3[N+](=O)[O-])ccc2-c2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ HPRT1 P00492 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ HNF4A P41235 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PSD A5PKW4 1/20 0.33

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
SCHEMBL19636323 0.94 TSHR (0.45) TSHRCYP3A4HSP90AA1CRHBPCRHR2
SCHEMBL18201473 0.81 CYP3A4 (0.56) TSHRCYP3A4HSP90AA1CRHBPCRHR2
SCHEMBL19573761 0.81 TSHR (0.44) TSHRCYP3A4HSP90AA1CRHBPCRHR2
SCHEMBL19383202 0.78 PDK2 (0.35) CYP3A4SMN1; SMN2NCEH1HPRT1ALDH1A1
SCHEMBL6241860 0.74 TSHR (0.59) TSHRCYP3A4HSP90AA1CRHBPCRHR2
SCHEMBL29770928 0.73 ALDH1A1 (0.46) TSHRCYP3A4ALDH1A1NPC1CYP1A2
SCHEMBL21217610 0.73 ALDH1A1 (0.46) TSHRCYP3A4ALDH1A1NPC1CYP1A2
SCHEMBL16940904 0.72 ALDH1A1 (0.45) TSHRSMN1; SMN2HPRT1ALDH1A1NPC1
SCHEMBL30288165 0.72 PDK2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL19553984 0.72 PDK2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 — — US disclosed
WO-2017204556-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 — — WO disclosed
WO-2017188655-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRONIC ELEMENT 덕산네오룩스 주식회사 2017-11-02 — — WO disclosed
WO-2017160089-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFROM 덕산네오룩스 주식회사 2017-09-21 — — 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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 TSHR 4791/4885CYP3A4 3322/4885HSP90AA1 4764/4885

“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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