SCHEMBL18662452

SCHEMBL18662452

O=C(O)c1noc(-c2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMURF2 Q9HAU4 1/20 0.51
▸ SMURF1 Q9HCE7 1/20 0.51
▸ ALPL P05186 1/20 0.44
▸ SRD5A2 P31213 1/20 0.43
▸ DUSP3 P51452 3/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ TP53 P04637 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CA1 P00915 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
SCHEMBL17261679 0.85 SMURF1 (0.69) SMURF2SMURF1ALPLSRD5A2DUSP3
SCHEMBL17261744 0.85 SMURF1 (0.49) SMURF2SMURF1ALPLSRD5A2DUSP3
SCHEMBL17265791 0.85 RAB9A (0.40) SMURF2SMURF1ALPLTP53SMN1; SMN2
SCHEMBL17265790 0.82 SMURF2 (0.49) SMURF2SMURF1TP53SMN1; SMN2ALDH1A1
SCHEMBL17261779 0.82 SMURF2 (0.46) SMURF2SMURF1ALPLSRD5A2DUSP3
SCHEMBL17261723 0.82 SMURF1 (0.46) SMURF2SMURF1ALPLSRD5A2DUSP3
SCHEMBL17261653 0.81 SMURF2 (0.60) SMURF2SMURF1ALPLSRD5A2DUSP3
SCHEMBL17265793 0.81 SMURF2 (0.78) SMURF2SMURF1DUSP3PTPN1
SCHEMBL17261678 0.80 SMURF2 (0.45) SMURF2SMURF1DUSP3PTPN1KMT2A
SCHEMBL1686351 0.78 PTPN1 (0.51) DUSP3PTPN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088545-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 — — US disclosed
US-20170088545-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 — — US disclosed
US-20170088545-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 — — 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-20170088545-A1 CARBOXAMIDE INHIBITORS SMURF1, SMURF2, SMYD2 SMURF2 2/4885SMURF1 1/4885ALPL 4728/4885

“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.

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