SCHEMBL7236123

SCHEMBL7236123

COC(=O)c1cc(N)ccc1Nc1nc(C)cc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.48
▸ SLC6A2 P23975 4/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ ALPL P05186 1/20 0.44
▸ DHODH Q02127 1/20 0.39
▸ CTRC Q99895 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 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
SCHEMBL7231827 0.90 MEN1 (0.49) SLC6A3SLC6A2SLC6A4CTRCCSNK2A1
SCHEMBL7238266 0.84 KMT2A (0.49) SLC6A3SLC6A2SLC6A4ALPLHPGD
SCHEMBL7238490 0.80 CSNK2A1 (0.61) SLC6A3SLC6A2SLC6A4CSNK2A1HPGD
SCHEMBL7232951 0.75 ALDH1A1 (0.49) CTRCCSNK2A1HPGDMEN1KMT2A
SCHEMBL7240262 0.74 CTSV (0.53) CSNK2A1MEN1KMT2AALDH1A1
SCHEMBL11696592 0.70 MAPT (0.67) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL19895168 0.69 RAB9A (0.64) SLC6A3SLC6A2SLC6A4ALPLCTRC
SCHEMBL7238780 0.68 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4ALPLDHODH
SCHEMBL16683936 0.67 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4ALPLHPGD
SCHEMBL7232111 0.66 CYP1A2 (0.74) CTRCHPGDALDH1A1KDM4ECYP1A2

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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — 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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 SLC6A3 4597/4885SLC6A2 3499/4885SLC6A4 4347/4885

“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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