SCHEMBL2434548

SCHEMBL2434548

Cc1ncc(CCCC(N)=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 9/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2091577 0.80 TSHR (0.53) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL5296032 0.78 MAPT (0.55) MAPTSMN1; SMN2RARBFAAHHDAC3
SCHEMBL2760902 0.78 HTT (0.44) ALDH1A1L3MBTL1GRM2RAB9A
SCHEMBL2438139 0.76 TBXAS1 (0.40) KMT2AGRM2SMN1; SMN2FAAHHDAC3
SCHEMBL7468895 0.76 P4HTM (0.55) LMNAL3MBTL1
SCHEMBL18291369 0.74 GABRP (0.56) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL5010825 0.74 AOC3 (0.46) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL19441154 0.73 GRM2 (0.33) KDM4ELMNAL3MBTL1GRM2
SCHEMBL20255199 0.73 KDM4E (0.41) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL2433226 0.73 HCAR2 (0.42) CYP3A4TDP1SMN1; SMN2NPC1RAB9A

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KDM4E 590/4885MEN1 2251/4885ALDH1A1 1158/4885

“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.