SCHEMBL1197482

SCHEMBL1197482

CCNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1ccc(-c2noc(C)n2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.35
MAPK14 Q16539 2/20 0.35
NAMPT P43490 2/20 0.35
MAPT P10636 2/20 0.34
HTR1D P28221 8/20 0.34
HTR1B P28222 7/20 0.34
HTR2A P28223 7/20 0.34
KIFC1 Q9BW19 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL1024812 0.90 AHCY (0.39) AHCYMAPK14NAMPTMAPTKIFC1
Hydrochloric Acid SCHEMBL1027066 0.90 HDAC4 (0.39) AHCYNAMPT
SCHEMBL1026432 0.84 HDAC4 (0.39) AHCYNAMPTMAPTTP53HPGD
Hydrochloric Acid SCHEMBL1025721 0.84 HDAC4 (0.39) AHCYNAMPTMAPTTP53HPGD
Hydrochloric Acid SCHEMBL1026411 0.83 HDAC4 (0.37)
SCHEMBL1026096 0.83 AHCY (0.39) AHCYNAMPTMEN1ALDH1A1TP53
SCHEMBL11974823 0.82 AHCY (0.53) AHCYMAPK14NAMPTKIFC1TP53
Hydrochloric Acid SCHEMBL1027656 0.82 AHCY (0.41) AHCYNAMPTMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1028429 0.81 NAMPT (0.34) AHCYNAMPTMAPTHTR1DHTR1B
Hydrochloric Acid SCHEMBL1028342 0.81 AHCY (0.35) AHCYALDH1A1

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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US claimed

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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885MAPK14 2008/4885NAMPT 134/4885

“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.