SCHEMBL3209262

SCHEMBL3209262

COC(=O)c1cc(OC)c(CN2CCN(Cc3c(OC)cc(C(=O)OC)cc3OC)CCN(Cc3c(OC)cc(C(=O)OC)cc3OC)CCN(Cc3c(OC)cc(C(=O)OC)cc3OC)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
ABCC4 O15439 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN1A P35498 1/20 0.46
THPO P40225 1/20 0.46
HTR2B P41595 1/20 0.46
MTOR P42345 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL7445171 0.94 KDM4E (0.52) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13427885 0.92 DDR1 (0.48) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
Bromide SCHEMBL3217532 0.90 DDR1 (0.47) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3220718 0.86 ALDH1A1 (0.41) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3229628 0.85 CA12 (0.53) SLC29A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL13427869 0.82 KDM4E (0.55) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL24856262 0.79 MAPT (0.51) SMN1; SMN2LMNAMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7445424 0.78 POLB (0.52) SMN1; SMN2MEN1KMT2ACYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4268341 0.78 SMN1; SMN2 (0.48) SLC29A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10317061 0.78 MAPT (0.50) SMN1; SMN2LMNAMEN1KMT2ACYP3A4

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
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
EP-2089063-A2 X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL Mallinckrodt Inc. (US) 2009-08-19 EP disclosed
WO-2008060399-A2 X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL MALLINCKRODT INC. (US) 2008-05-22 WO 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-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents SLC39A3, ZNF277, TPR SLC29A1 1338/4885SMN1; SMN2 4835/4885LMNA 4193/4885

“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.