SCHEMBL24433705

SCHEMBL24433705

C/N=C(/NCc1ccoc1C)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CYP2C19 P33261 2/20 0.31
TPH1 P17752 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
POLB P06746 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL26268452 0.84 ALOX5 (0.34) ALOX5ALDH1A1TSHRMAPTHPGD
SCHEMBL4854034 0.82 ALOX5 (0.42) ALOX5ALDH1A1TSHRMAPTHPGD
SCHEMBL14868618 0.76 KMT2A (0.47) ALDH1A1MAPTPOLBTDP1
SCHEMBL24433742 0.75 TPH1 (0.31) TPH1
SCHEMBL24433716 0.75 TPH1 (0.31) TPH1
SCHEMBL14868662 0.73 FAAH (0.36) ALOX5ALDH1A1TSHRMAPTHPGD
SCHEMBL14868709 0.73 PRMT6 (0.44) ALDH1A1MAPTNPC1POLBTDP1
SCHEMBL14868655 0.73 CHRM2 (0.39) ALOX5ALDH1A1MAPTNPC1CYP2C19
SCHEMBL14868467 0.72 TPH1 (0.35) TSHRTPH1
SCHEMBL14868322 0.72 GRIN2D (0.46) ALDH1A1TSHRMAPTHPGDCYP2C19

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-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 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-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885

“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.