SCHEMBL21931881

SCHEMBL21931881

O=c1c2ccccc2nc2n1CC/C2=C\c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ ALOX5 P09917 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ DYRK1A Q13627 1/20 0.50

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
SCHEMBL11078081 0.88 MEN1 (0.52) RAB9ANPC1ALOX5MAPTMEN1
SCHEMBL11089804 0.88 MEN1 (0.56) RAB9ANPC1ALOX5MAPTCYP1A2
SCHEMBL29519848 0.88 MEN1 (0.56) RAB9ANPC1ALOX5SMN1; SMN2MAPT
SCHEMBL11089807 0.88 MEN1 (0.56) RAB9ANPC1ALOX5MAPTCYP1A2
SCHEMBL11086267 0.88 RAB9A (0.50) RAB9ANPC1ALOX5SMN1; SMN2MAPT
SCHEMBL11086270 0.88 RAB9A (0.50) RAB9ANPC1ALOX5SMN1; SMN2MAPT
SCHEMBL11078112 0.88 MEN1 (0.52) RAB9ANPC1ALOX5MAPTMEN1
SCHEMBL21992768 0.84 SMARCA4 (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29519667 0.84 RAB9A (0.63) RAB9ANPC1ALOX5MAPTMEN1
SCHEMBL10852413 0.83 NME2 (0.53) RAB9ANPC1MAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — US claimed
US-20230116370-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2023-04-13 — — US disclosed
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-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
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 (3 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-20230116370-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885ALOX5 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.

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