SCHEMBL14174239

SCHEMBL14174239

Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CCC23)c(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ NR1I2 O75469 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CTDSP1 Q9GZU7 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ SLC15A2 Q16348 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ APAF1 O14727 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APEX1 P27695 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
SCHEMBL3395663 0.94 NR1I2 (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL12306379 0.91 ALDH1A1 (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL14174240 0.90 KDM4E (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL3394035 0.90 KDM4E (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL14184484 0.90 KDM4E (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL13457555 0.89 KDM4E (0.32) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL14949253 0.88 NR1I2 (0.33) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL6238496 0.86 TDP1 (0.51) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL6238490 0.86 TDP1 (0.51) TDP1MAPTNR1I2KDM4EALDH1A1
SCHEMBL3391751 0.85 KDM4E (0.31) TDP1MAPTNR1I2KDM4EALDH1A1

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-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors BLANCA PHARMACEUTICALS, INC. 2008-06-19 — — 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-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors MGAM, CMBL, MGAM2 TDP1 3964/4885MAPT 2389/4885NR1I2 3448/4885

“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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