SCHEMBL19543868

SCHEMBL19543868

C[S+]([O-])c1ccc2ccccc2c1-c1ccc(Br)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.39
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RXFP1 Q9HBX9 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPRT1 P00492 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11908430 0.83 CYP2A6 (0.46) DNMT1MAPTALDH1A1RAB9ACYP1A2
SCHEMBL19543963 0.78 ALDH1A1 (0.34) DNMT1MAPTALDH1A1MEN1KMT2A
SCHEMBL19544355 0.77 CYP1A2 (0.33) RXFP1CYP1A2
SCHEMBL18073785 0.77 CYP1A1 (0.38) MAPTALDH1A1RXFP1RAB9ACYP1A2
SCHEMBL22729951 0.76 TSHR (0.47) DNMT1MAPTALDH1A1MEN1KMT2A
SCHEMBL19543869 0.75 DNMT1 (0.41) DNMT1MAPTALDH1A1MEN1KMT2A
SCHEMBL19544023 0.72 POLB (0.53) DNMT1MAPTALDH1A1MEN1KMT2A
SCHEMBL18907361 0.72 DNMT1 (0.44) DNMT1MAPTALDH1A1MEN1KMT2A
SCHEMBL22155106 0.71 CES1 (0.46) DNMT1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL26637999 0.70 SOS1 (0.54) DNMT1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326998-B1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2020-12-02 — — EP disclosed
US-10797247-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-10-06 — — US disclosed
EP-3326998-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2018-05-30 — — EP disclosed
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 — — US disclosed
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 — — US disclosed
WO-2017188676-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-11-02 — — 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 (2 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-10797247-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, ORAI2, TRPV2 DNMT1 254/4885MAPT 1271/4885ALDH1A1 3940/4885
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, TRPV2 DNMT1 254/4885MAPT 1271/4885ALDH1A1 3940/4885

“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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