SCHEMBL3395663

SCHEMBL3395663

CCN(CC)CC.Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(Cl)CCC23)c(Cl)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ TDP1 Q9NUW8 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PGR P06401 2/20 0.32
▸ ESR1 P03372 2/20 0.32

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
SCHEMBL14174239 0.94 TDP1 (0.34) NR1I2HTR2CKDM4ETDP1ALDH1A1
SCHEMBL14949253 0.94 NR1I2 (0.33) NR1I2HTR2CKDM4ETDP1ALDH1A1
SCHEMBL12306379 0.87 ALDH1A1 (0.33) NR1I2HTR2CKDM4ETDP1ALDH1A1
SCHEMBL3394035 0.85 KDM4E (0.33) NR1I2KDM4ETDP1ALDH1A1MAPT
SCHEMBL14174240 0.85 KDM4E (0.33) NR1I2KDM4ETDP1ALDH1A1MAPT
SCHEMBL14184484 0.85 KDM4E (0.33) NR1I2KDM4ETDP1ALDH1A1MAPT
SCHEMBL13457555 0.84 KDM4E (0.32) NR1I2KDM4ETDP1ALDH1A1MAPT
SCHEMBL6238496 0.82 TDP1 (0.51) NR1I2HTR2CKDM4ETDP1ALDH1A1
SCHEMBL6238490 0.82 TDP1 (0.51) NR1I2HTR2CKDM4ETDP1ALDH1A1
SCHEMBL14174247 0.80 KDM4E (0.31) NR1I2KDM4ETDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161268-A1 Carbacephem beta-lactam compounds for the treatment of bacterial infections Trine Pharmaceuticals, Inc. (US) 2010-03-10 — — EP disclosed
EP-1618106-B1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS TRINE PHARMACEUTICALS INC (US) 2009-11-25 — — EP disclosed
US-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors BLANCA PHARMACEUTICALS, INC. 2008-06-19 — — US disclosed
US-7109190-B2 Carbacephem β-lactam antibiotics TRINE PHARMACEUTICALS, INC. (US) 2006-09-19 — — US disclosed
US-20050004095-A1 Carbacephem beta-lactam antibiotics TRINE PHARMACEUTICALS, INC. 2005-01-06 — — 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 (2 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 NR1I2 3448/4885HTR2C 3983/4885KDM4E 1002/4885
US-20050004095-A1 Carbacephem beta-lactam antibiotics MGAM, CUTA, CMBL NR1I2 3828/4885HTR2C 3261/4885KDM4E 1702/4885

“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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