SCHEMBL5148133

SCHEMBL5148133

CNC(=O)n1ccnc1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 2/20 0.40
MGLL Q99685 2/20 0.40
CYP24A1 Q07973 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ACP1 P24666 1/20 0.37
CYP26A1 O43174 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TBXAS1 P24557 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
Benzoic Acid SCHEMBL5149506 0.81 ADH5 (0.43) TSHRFAAHMGLLCYP24A1NAPRT
SCHEMBL446876 0.80
SCHEMBL10969757 0.78 PTGS2 (0.51) ALDH1A1TBXAS1KMT2A
Hydrochloric Acid SCHEMBL5149348 0.78 MAPT (0.36) FAAHMGLLCYP24A1ALDH1A1LMNA
Salicylic Acid SCHEMBL5149483 0.77 ALDH1A1 (0.49) TSHRSMN1; SMN2FAAHMGLLCYP24A1
1-Methylimidazole SCHEMBL17961221 0.76 TSHR (0.53) TSHRSMN1; SMN2NAPRTACP1ALDH1A1
SCHEMBL27803172 0.73 TSHR (0.53) TSHRSMN1; SMN2NAPRTACP1ALDH1A1
SCHEMBL2457493 0.72 TSHR (0.48) TSHRSMN1; SMN2TBXAS1
SCHEMBL17961167 0.72 TSHR (0.41) TSHRSMN1; SMN2FAAHMGLLCYP24A1
SCHEMBL27810405 0.71 SMN1; SMN2 (0.67) TSHRSMN1; SMN2NAPRTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539707-A4 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LTD (AU) 2007-05-30 EP claimed
EP-1539707-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION Biodiem Ltd. (AU) 2005-06-15 EP claimed
WO-2004013108-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LIMITED (AU) 2004-02-12 WO claimed
EP-1539707-A4 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LTD (AU) 2007-05-30 EP disclosed
US-20060135587-A1 Method and compounds for promoting healing and reducing inflammation BIODIEM, LTD. (AU) 2006-06-22 US disclosed
EP-1539707-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION Biodiem Ltd. (AU) 2005-06-15 EP disclosed
WO-2004013108-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LIMITED (AU) 2004-02-12 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-20060135587-A1 Method and compounds for promoting healing and reducing inflammation IL1B, MIF, ALKBH5 TSHR 4776/4885SMN1; SMN2 2994/4885FAAH 1236/4885

“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.