SCHEMBL25783407

SCHEMBL25783407

c1ccc(-c2c(NCCn3cccn3)ccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL30060844 0.84 MAPT (0.40) HTR2BHTR5ATDO2MMP2MMP9
SCHEMBL23875524 0.84 MAPT (0.40) HTR2BHTR5ATDO2MMP2MMP9
SCHEMBL25783474 0.78 NLRP3 (0.39) NLRP3HDAC1MMP2MMP9MMP8
SCHEMBL25783488 0.72 KDM4E (0.38) HTR2BHTR5ATDO2MMP2MMP9
SCHEMBL25783495 0.72 GAA (0.36) NLRP3TDO2HDAC1KDM4EALDH1A1
SCHEMBL25784580 0.67 KDM4E (0.41) HTR2BHTR5ATDO2KDM4EALDH1A1
SCHEMBL25783467 0.66 MAPK1 (0.38) HTR2BHTR5ATDO2KDM4EALDH1A1
SCHEMBL7760024 0.66 MAPT (0.50) HTR2BHTR5ATDO2KDM4ESMARCA2
SCHEMBL1683250 0.66 ESR1 (0.55) HTR2BHTR5ATDO2KDM4ESMARCA2
SCHEMBL30022621 0.64 ESR1 (0.52) HTR2BHTR5ATDO2KDM4ESMARCA2

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 NLRP3 2175/4885HTR2B 1064/4885HTR5A 967/4885

“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.

Send feedback