SCHEMBL21993213

SCHEMBL21993213

O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cccc(O)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.74
▸ KMT2A Q03164 9/20 0.74
▸ ALOX5 P09917 2/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NME2 P22392 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL21993211 0.84 MEN1 (0.63) MEN1KMT2AALOX5RAB9ANPC1
SCHEMBL10859497 0.81 MEN1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10859492 0.81 MEN1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL29520059 0.79 MEN1 (0.65) MEN1KMT2AALOX5RAB9ANPC1
SCHEMBL29519764 0.79 MEN1 (0.64) MEN1KMT2AALOX5RAB9ANPC1
SCHEMBL10854096 0.78 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL10854092 0.78 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL10854083 0.78 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL21931878 0.77 MEN1 (0.58) MEN1KMT2AALOX5RAB9ANPC1
SCHEMBL29519694 0.75 MEN1 (0.66) MEN1KMT2AALOX5RAB9ANPC1

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-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 — — US disclosed
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — 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 (2 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-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 MEN1 523/4885KMT2A 4754/4885ALOX5 570/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 MEN1 523/4885KMT2A 4754/4885ALOX5 570/4885

“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.

Send feedback