SCHEMBL22056641

SCHEMBL22056641

C/C(=N\NC(=S)Nc1ccccc1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.77
HKDC1 Q2TB90 4/20 0.77
TOP2A P11388 2/20 0.72
SLC2A1 P11166 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
PTBP1 P26599 1/20 0.64
OPRK1 P41145 1/20 0.64
HTT P42858 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
CCR6 P51684 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
KDR P35968 1/20 0.53

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
SCHEMBL9321789 1.00 HSP90AA1 (0.77) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL12680567 0.91 HSP90AA1 (0.76) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL22056134 0.88 HSP90AA1 (0.69) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL29883308 0.88 HSP90AA1 (0.69) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL12680569 0.87 HSP90AA1 (1.00) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL9319550 0.86 HSP90AA1 (0.63) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL9320172 0.86 HSP90AA1 (0.77) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL9320842 0.86 TOP2A (0.72) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL22056829 0.86 TOP2A (0.72) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2
SCHEMBL29882840 0.86 TOP2A (0.72) HSP90AA1HKDC1TOP2ASLC2A1SMN1; SMN2

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 5 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
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN 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

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 HSP90AA1 761/4885HKDC1 3202/4885TOP2A 1926/4885

“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.