SCHEMBL14174240

SCHEMBL14174240

Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(Cl)CCC23)c(Cl)s1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ NR1I2 O75469 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ESR1 P03372 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ PPARG P37231 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
SCHEMBL14184484 1.00 KDM4E (0.33) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3394035 1.00 KDM4E (0.33) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3391751 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL14174247 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3076794 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL2453654 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL12306374 0.92 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL14174239 0.90 TDP1 (0.34) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL2450841 0.90 KDM4E (0.30) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL2450839 0.90 KDM4E (0.30) KDM4EALDH1A1MAPTHSD17B10MEN1

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 KDM4E 1002/4885ALDH1A1 3804/4885MAPT 2389/4885

“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