SCHEMBL31370641

SCHEMBL31370641

O=C(NC1CCNCC1)c1csc(-c2cnn(-c3ccccc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CHEK1 O14757 5/20 0.45
TNKS O95271 1/20 0.44
ACKR3 P25106 3/20 0.44
PIN1 Q13526 1/20 0.43
RIPK2 O43353 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TYR P14679 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL25253372 0.94 MAPK8 (0.47) KHKHTR3EHTR3BCHRNA7HTR3A
SCHEMBL25217767 0.94 MAPK8 (0.47) KHKHTR3EHTR3BCHRNA7HTR3A
SCHEMBL25245499 0.90 KHK (0.45) KHKHTR3EHTR3BCHRNA7HTR3A
SCHEMBL25233750 0.90 PIN1 (0.53) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL25205778 0.89 HTR3E (0.47) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL25267175 0.89 HTR3E (0.47) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL25238515 0.89 HTR3E (0.43) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL25233845 0.88 HTR3E (0.46) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL25206061 0.87 HTR3E (0.48) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL31370956 0.87 ACKR3 (0.43) HTR3EHTR3BCHRNA7HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2025-02-13 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 (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-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS BECN1, TFEB, SQSTM1 KHK 2493/4885HTR3E 2970/4885HTR3B 2760/4885

“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.