SCHEMBL3327728

SCHEMBL3327728

Cn1nnc(-c2cc(/C=C/C(=O)O)sc2Cc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ TBXAS1 P24557 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GPER1 Q99527 1/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL3327731 1.00 ESR1 (0.38) ESR1TBXAS1SMN1; SMN2TSHRALDH1A1
SCHEMBL3329504 0.90 MAPK8 (0.39) ESR1SMN1; SMN2TSHRALDH1A1BRD4
SCHEMBL3328544 0.85 ALDH1A1 (0.46) TBXAS1SMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL4750782 0.83 TSHR (0.48) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL3324327 0.80 NPSR1 (0.39) TBXAS1TSHRALDH1A1BRD4KDM4E
SCHEMBL3324322 0.80 NPSR1 (0.39) TBXAS1TSHRALDH1A1BRD4KDM4E
SCHEMBL3329506 0.77 TSHR (0.47) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL3329501 0.77 TSHR (0.47) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL3328122 0.76 KDM4E (0.32) SMN1; SMN2ALDH1A1KDM4EGAAPOLB
SCHEMBL3328126 0.76 KDM4E (0.32) SMN1; SMN2ALDH1A1KDM4EGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 — — US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 — — 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 ESR1 1427/4885TBXAS1 1839/4885SMN1; SMN2 3325/4885

“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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