SCHEMBL21290415

SCHEMBL21290415

COC(=O)c1cc(Cl)cnc1-c1cccnc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL21290414 0.84 PTGS1 (0.39) PDK2PTGS1PTGS2DHODHL3MBTL1
SCHEMBL28405722 0.79 PTGS1 (0.51) SLC6A4SLC6A3PTGS1PTGS2ALDH1A1
SCHEMBL30171520 0.79 PTGS1 (0.51) SLC6A4SLC6A3PTGS1PTGS2ALDH1A1
SCHEMBL3621439 0.78 MAPK1 (0.55) PTGS1PTGS2CFTRALDH1A1ABL1
SCHEMBL21462378 0.77 OPRK1 (0.46) PDK2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL1324766 0.77 RPS6KB1 (0.46) SLC6A4SLC6A3DHODHALDH1A1
SCHEMBL18816928 0.77 DHODH (0.52) SLC6A4SLC6A3PTGS1DHODHALDH1A1
SCHEMBL29335088 0.75 NAPRT (0.42) SLC6A4SLC6A3MAP2K1CFTRALDH1A1
SCHEMBL1807364 0.74 NAPRT (0.61) SLC6A4SLC6A3MAP2K1CFTRALDH1A1
SCHEMBL20850438 0.73 KMT2A (0.49) ALDH1A1TDP1KDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 — — EP disclosed
US-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY UDC IRELAND LIMITED (IE) 2022-03-31 — — US disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 — — 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-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY ICOSLG, CCL11, CCR3 PDK2 3110/4885SLC6A4 3244/4885SLC6A3 1696/4885

“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.

Send feedback