SCHEMBL14520341

SCHEMBL14520341

N=C(N)NNC(=O)/C=C\C(=O)NNC(=N)N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 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
SCHEMBL4297899 0.79
Fumaric Acid SCHEMBL19458471 0.78 TSHR (0.50) ALDH1A1MAPTCYP1A2CYP2C9HPGD
Maleic Acid SCHEMBL19458350 0.78 TSHR (0.50) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL2767461 0.76
Bicarbonate SCHEMBL30774952 0.76 ACHE (0.40) ALDH1A1MAPTCYP1A2CYP2C9HPGD
Bicarbonate SCHEMBL19458454 0.76 ACHE (0.40) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL1169064 0.74
Hydrochloric Acid SCHEMBL10550899 0.73 LMNA (0.44) ALDH1A1CYP1A2TDP1
Hydrochloric Acid SCHEMBL10425380 0.73
SCHEMBL11797577 0.73 LMNA (0.32) ALDH1A1CYP1A2TDP1

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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 ALDH1A1 627/4885MAPT 478/4885CYP1A2 552/4885

“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.