SCHEMBL24701710

SCHEMBL24701710

Cc1cccc2ccn(I)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CYP2A6 P11509 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCRTR1 O43613 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
SCHEMBL436336 0.76 MEN1 (0.41) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL25045527 0.76 — —
SCHEMBL30109166 0.76 MEN1 (0.41) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL15241791 0.74 ADRA2A (0.39) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL11081014 0.71 ADRA2A (0.50) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL31122158 0.71 ADRA2A (0.37) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL13180801 0.71 SLC6A2 (0.43) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL28798997 0.69 NOTUM (0.39) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL28910299 0.69 ADRA2A (0.36) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1
SCHEMBL5662790 0.69 NOTUM (0.41) ADRA2AADRA2BADRA2CCYP2A6ALDH1A1

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-20230038197-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-02-09 — — US disclosed
EP-4098716-A2 METAL COMPLEX WITH FLUORINE SUBSTITUTION Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-07 — — EP disclosed
CN-103664996-B Indole derivatives and preparation method thereof 中国医学科学院医药生物技术研究所 2017-10-03 — — CN disclosed
CN-103664996-A Indole derivative and preparation method thereof INST MEDICINAL BIOTECHNOLOGY 2014-03-26 — — CN 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-20230038197-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND LEF1, ORC3, OCIAD1 ADRA2A 4589/4885ADRA2B 4576/4885ADRA2C 4454/4885

“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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