SCHEMBL7233250

SCHEMBL7233250

COC(=O)c1cccnc1Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.63
▸ NPC1 O15118 8/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ CSNK2A1 P68400 4/20 0.54
▸ GAA P10253 5/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ CSNK2A2 P19784 1/20 0.53
▸ CSNK2B P67870 1/20 0.53

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
SCHEMBL7230691 0.88 RAB9A (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7235764 0.81 RAB9A (0.77) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7229223 0.79 RAB9A (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7238490 0.78 CSNK2A1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7239003 0.78 MEN1 (0.56) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL25614240 0.76 MAOA (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7239497 0.75 CSNK2A1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24617829 0.75 NPC1 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7238113 0.74 RAB9A (0.76) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL207635 0.73 RAB9A (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 RAB9A 3964/4885NPC1 2716/4885MEN1 386/4885

“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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