SCHEMBL21994245

SCHEMBL21994245

C/C(=N\NC(=S)Nc1ccccn1)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.68
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
GAA P10253 2/20 0.68
ALDH1A1 P00352 4/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CTSL P07711 2/20 0.56
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TOP2A P11388 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL29882840 0.80 TOP2A (0.72) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9320842 0.80 TOP2A (0.72) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL22056829 0.80 TOP2A (0.72) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL22056640 0.76 CTSL (0.72) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL22056110 0.75 RAB9A (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL29883256 0.75 RAB9A (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL942177 0.72 CTSL (1.00) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL942176 0.72 CTSL (1.00) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL22875491 0.72 CTSL (1.00) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL28470273 0.71 NPC1 (0.55) SMN1; SMN2RAB9ANPC1GAAALDH1A1

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-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof TSINGHUA UNIVERSITY (CN) 2025-02-20 US claimed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO claimed
US-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof TSINGHUA UNIVERSITY (CN) 2025-02-20 US disclosed
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN disclosed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 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-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof NAMPT, NNMT, NAPRT SMN1; SMN2 347/4885RAB9A 1944/4885NPC1 381/4885

“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.