SCHEMBL7239003

SCHEMBL7239003

COC(=O)c1cccnc1Nc1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ MAPT P10636 6/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ SLC6A3 Q01959 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ DHODH Q02127 3/20 0.49
▸ SIRT2 Q8IXJ6 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46

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
SCHEMBL7229231 0.87 DHODH (0.64) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7238038 0.82 MAPT (0.61) MAPTSLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7281318 0.81 MEN1 (0.81) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7281512 0.80 DHODH (0.71) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7272758 0.79 KMT2A (0.60) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7440301 0.79 MEN1 (0.60) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL6332639 0.79 MEN1 (0.60) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7233250 0.78 RAB9A (0.63) MEN1KMT2AMAPTSLC6A3SLC6A2
SCHEMBL22452840 0.78 MEN1 (0.58) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL7271426 0.78 MEN1 (0.58) MEN1KMT2AMAPTMAPK1HTT

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 MEN1 386/4885KMT2A 2592/4885MAPT 3335/4885

“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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