SCHEMBL22349634

SCHEMBL22349634

O=C(OCc1ccccc1)c1ccc2nc(I)nc(I)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ RAB9A P51151 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL22349631 0.84 TDP1 (0.54) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL19779307 0.79 TDP1 (0.66) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL11862997 0.79 KMT2A (0.66) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL25409845 0.77 TDP1 (0.55) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL22349633 0.77 MAPT (0.52) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL2244369 0.77 KMT2A (0.58) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL6002245 0.76 KMT2A (0.70) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL19779305 0.75 TDP1 (0.51) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL22349583 0.75 DHODH (0.54) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL22732370 0.74 LMNA (0.55) LMNATDP1KMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-18 — — US 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-10749118-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CRY1, CYP1B1 LMNA 1789/4885TDP1 3358/4885KMT2A 1671/4885

“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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