SCHEMBL6491979

SCHEMBL6491979

O=C(NCC1CCc2ccc(Br)cc21)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NQO2 P16083 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
KCNA5 P22460 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL6483944 0.84 MTNR1A (0.43) MTNR1ALMNAHTTCASP1ALDH1A1
SCHEMBL31602967 0.82 ALDH1A1 (0.48) LMNAHTTNPSR1ALDH1A1GAA
SCHEMBL6494381 0.80 MTNR1A (0.42) MTNR1ALMNACASP1ALDH1A1NQO2
SCHEMBL6483138 0.78 MTNR1A (0.51) MTNR1ANQO2MTNR1B
SCHEMBL19540842 0.78 LMNA (0.49) LMNAHTTALDH1A1KMT2AGAA
SCHEMBL27812899 0.75 CA1 (0.44) LMNAHTTNPSR1ALDH1A1GAA
SCHEMBL1590831 0.75 CA1 (0.48) LMNAHTTNPSR1ALDH1A1GAA
SCHEMBL23938186 0.74 CA1 (0.61) MTNR1AALDH1A1MTNR1BGAACA1
SCHEMBL17549529 0.74 CA1 (0.61) MTNR1AALDH1A1MTNR1BGAACA1
SCHEMBL30968514 0.74 CA1 (0.61) MTNR1AALDH1A1MTNR1BGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 US disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 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-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 MTNR1A 2950/4885LMNA 2272/4885HTT 4743/4885

“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.