SCHEMBL14389780

SCHEMBL14389780

Cc1ccc2nc(OCCCN(C)C)c(C#N)c(N3CCN(C(=O)C4=CCCS4)CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CASP1 P29466 3/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ HPGD P15428 2/20 0.31

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
SCHEMBL14349977 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRCASP1
SCHEMBL14349970 0.84 TLR9 (0.41) ALDH1A1KDM4ELMNAHSD17B10L3MBTL1
SCHEMBL14349953 0.84 LMNA (0.41) ALDH1A1KDM4ELMNACASP1CASP7
SCHEMBL14349982 0.83 CFTR (0.47) ALDH1A1KDM4ELMNATSHRCASP1
SCHEMBL14349984 0.83 IDH1 (0.40) TSHRL3MBTL1MAPTPARP1MEN1
SCHEMBL14607350 0.80 HTR3A (0.40) ALDH1A1KDM4ELMNATSHRCASP1
SCHEMBL14349955 0.78 SMN1; SMN2 (0.42) ALDH1A1KDM4ELMNACASP1CASP7
SCHEMBL14451884 0.77 ALDH1A1 (0.36) ALDH1A1KDM4ELMNACASP1CASP7
SCHEMBL14499778 0.77 HRH4 (0.40) MEN1KMT2AHRH4TOP2A
SCHEMBL14349942 0.76 TLR9 (0.40) ALDH1A1KDM4ELMNACASP1CASP7

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-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-11-22 — — 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-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 ALDH1A1 1799/4885KDM4E 2968/4885LMNA 2061/4885

“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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