SCHEMBL24206451

SCHEMBL24206451

NNc1ccc(C(=O)I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 4/20 0.42
CYP3A4 P08684 2/20 0.42
PTGS2 P35354 2/20 0.42

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
SCHEMBL4853473 0.82 MAPK13 (0.52) MAPTALDH1A1NPC1TDP1RAB9A
SCHEMBL11353187 0.80 ALDH1A1 (0.52) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL7034 0.80 TSHR (0.60) MAPTALDH1A1NPC1TDP1KDM4E
Charcoal, Activated SCHEMBL31491472 0.78 TSHR (0.57) MAPTALDH1A1NPC1TDP1KDM4E
Hydrochloric Acid SCHEMBL980759 0.78 ALDH1A1 (0.50) MAPTALDH1A1NPC1TDP1KDM4E
Hydrazine SCHEMBL28420061 0.78 TSHR (0.57) MAPTALDH1A1NPC1TDP1KDM4E
Hydrochloric Acid SCHEMBL83661 0.78 TSHR (0.57) MAPTALDH1A1NPC1TDP1KDM4E
SCHEMBL6469729 0.78 MPO (0.64) MAPTALDH1A1NPC1TDP1KDM4E
Bromide SCHEMBL20984518 0.78 TSHR (0.57) MAPTALDH1A1NPC1TDP1KDM4E
SCHEMBL4406312 0.78 MAPT (0.53) MAPTALDH1A1NPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-09 US disclosed
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-01-20 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-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER PSMA1, KLK3, FOLH1 MAPT 1513/4885ALDH1A1 896/4885NPC1 91/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 MAPT 1379/4885ALDH1A1 1945/4885NPC1 229/4885

“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.