SCHEMBL3230784

SCHEMBL3230784

O=C(O)N(CCCCCCCCCBr)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL19615405 0.97 TDP1 (0.32) EYA2APPACETDP1TSHR
SCHEMBL9051005 0.90 TSHR (0.33) EYA2APPACETDP1TSHR
SCHEMBL4868996 0.87 TSHR (0.35) EYA2APPACETDP1TSHR
SCHEMBL28428366 0.84 TDP1 (0.33) EYA2APPACETDP1TSHR
SCHEMBL99172 0.78 HDAC1 (0.37) TDP1HDAC3HDAC1HDAC2NCOR2
SCHEMBL537217 0.75 LMNA (0.48) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL9280314 0.75 GPR84 (0.48) APPTDP1TSHR
SCHEMBL11407728 0.75 GPR84 (0.48) APPTDP1TSHR
SCHEMBL29195396 0.75 GPR84 (0.48) APPTDP1TSHR
SCHEMBL28464460 0.75 LMNA (0.48) TSHRHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300443-B1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2012-12-12 EP disclosed
US-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
WO-2010004517-A1 TRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2010-01-14 WO disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 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-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases TSLP, IL5, EPX EYA2 3161/4885APP 3842/4885ACE 579/4885

“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.