SCHEMBL22349583

SCHEMBL22349583

Cc1ccc2nc(I)nc(C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ RAB9A P51151 3/20 0.41

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
SCHEMBL19820129 0.77 TDP1 (0.53) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL18573740 0.76 RAB9A (0.48) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL22349634 0.75 LMNA (0.51) TDP1KDM4EL3MBTL1KMT2ASMN1; SMN2
SCHEMBL19820140 0.73 TDP1 (0.51) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL20793272 0.73 RAB9A (0.48) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL18430848 0.73 TDP1 (0.47) TDP1L3MBTL1MAPK1KMT2ASMN1; SMN2
SCHEMBL21572853 0.72 TDP1 (0.58) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL4812204 0.72 ALDH1A1 (0.54) DHODHTDP1L3MBTL1MAPK1KMT2A
SCHEMBL20757052 0.72 TDP1 (0.50) TDP1KDM4EL3MBTL1MAPK1KMT2A
SCHEMBL28216134 0.72 ALDH1A1 (0.54) DHODHTDP1L3MBTL1MAPK1KMT2A

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 DHODH 1047/4885TDP1 3358/4885KDM4E 3404/4885

“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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