SCHEMBL22983004

SCHEMBL22983004

O=C(Nc1ccc(-c2ncco2)cc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.61
▸ NPC1 O15118 10/20 0.61
▸ SMN1; SMN2 Q16637 8/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ ROCK2 O75116 1/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ HIF1A Q16665 1/20 0.57
▸ MAPT P10636 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL12469174 0.81 SIRT2 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15650262 0.78 MAPT (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL28232648 0.78 LMNA (0.58) RAB9ANPC1SMN1; SMN2LMNAROCK2
SCHEMBL22983284 0.78 NPC1 (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13363308 0.78 ROCK2 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17109832 0.77 HDAC8 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3872412 0.77 TRPV1 (0.60) CYP1A2HPGDCYP2C19KDM4EKMT2A
SCHEMBL16592714 0.77 NPC1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18132567 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP1A2HPGDMAPT
SCHEMBL28723922 0.76 HDAC4 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC 2022-10-13 — — US disclosed
EP-4013766-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE Metro International Biotech, LLC (US) 2022-06-22 — — EP disclosed
CN-114555619-A Compounds and compositions for differential modulation of nicotinamide adenine dinucleotide 麦德龙国际生物科技有限责任公司 2022-05-27 — — CN disclosed
WO-2021030551-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC (US) 2021-02-18 — — WO 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-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE NQO1, NAMPT, NADK RAB9A 1443/4885NPC1 309/4885SMN1; SMN2 482/4885

“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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