SCHEMBL6864271

SCHEMBL6864271

Nc1c(I)c(C(=O)NCCCO)c(I)c(C(=O)NCCCO)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
CDK1 P06493 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL11522523 0.94 HTT (0.40) HTTCDK1CA12CA1CA2
SCHEMBL11381319 0.89 ALDH1A1 (0.42) HTTCA12CA1CA2CA3
SCHEMBL31124627 0.87 HTT (0.47) HTTCDK1CA12CA1CA2
SCHEMBL10621991 0.85 ALDH1A1 (0.42) HTTCA12CA1CA2CA3
SCHEMBL8911310 0.83 ALDH1A1 (0.38) HTTCA12CA1CA2CA3
SCHEMBL12640416 0.81 MAOB (0.41) HTTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL23388953 0.79 NAAA (0.42) HTTCA2L3MBTL1
SCHEMBL9395608 0.77 LMNA (0.46) HTTCDK1POLBKDM4ESMN1; SMN2
SCHEMBL621824 0.77 LMNA (0.52) CA2KDM4EALDH1A1MAP2K1HSD17B10
SCHEMBL9180929 0.76 LMNA (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656682-A2 RADIOPAQUE MULTI-ARMED POLYMERS AND COMPOSITIONS, SYSTEMS AND METHODS PERTAINING TO THE SAME Boston Scientific Scimed, Inc. (US) 2025-12-03 EP disclosed
EP-4021513-B1 RADIOPAQUE MULTI-ARMED POLYMERS AND COMPOSITIONS, SYSTEMS AND METHODS PERTAINING TO THE SAME BOSTON SCIENT SCIMED INC (US) 2025-11-26 EP disclosed
US-20250243367-A1 RADIOPAQUE MULTI-ARMED POLYMERS AND COMPOSITIONS, SYSTEMS AND METHODS PERTAINING TO THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-07-31 US disclosed
US-12297335-B2 Radiopaque multi-armed polymers and compositions, systems and methods pertaining to the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-05-13 US disclosed
CN-114206984-A Radiopaque, multi-armed polymers, and compositions, systems, and methods related thereto 波士顿科学医学有限公司 2022-03-18 CN disclosed
US-20210062004-A1 RADIOPAQUE MULTI-ARMED POLYMERS AND COMPOSITIONS, SYSTEMS AND METHODS PERTAINING TO THE SAME BOSTON SCIENTIFIC SCIMED, INC. 2021-03-04 US disclosed
EP-1131280-B1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES AMERSHAM HEALTH AS (NO) 2004-08-11 EP disclosed
US-6441235-B1 DI-LOWER-ALKYL-5-NITROISOPHTHALATE REACTS WITH A DIHYDROXY-MONOALKYLAMINE IN THE PRESENCE OF A BASIC CATALYST AND THEN CATALYLYTICALLY HYDROGENATED, WITHOUT ISOLATING THE 5-NITRO-N,N'-BIS(R)ISOPHTHALAMIDE INTERMEDIATE AMERSHA, HEALTH AS (NO) 2002-08-27 US disclosed
US-20020095053-A1 Preparation of 5-amino-isophthalamides GE HEALTHCARE AS (NO) 2002-07-18 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-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH HTT 1201/4885CDK1 4310/4885CA12 2644/4885

“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.