SCHEMBL9962913

SCHEMBL9962913

CC(=O)Cn1cc(I)c(=O)c(I)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.31
POLB P06746 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
Diodone Acid SCHEMBL468504 0.81 AKR1B1 (0.39) ALDH1A1MAPTSMN1; SMN2CA12CA9
SCHEMBL16160299 0.70 KMT2A (0.42) NPC1MITFS1PR4ALDH1A1MAPT
SCHEMBL2876964 0.64
SCHEMBL15495572 0.60 SRC (0.36) NPC1MITFS1PR4ALDH1A1MAPT
SCHEMBL12017379 0.60 SMN1; SMN2 (0.38) NPC1MITFS1PR4ALDH1A1MAPT
SCHEMBL11955666 0.59 GSK3A (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2CA12
SCHEMBL21233122 0.57 ALDH1A1 (0.36) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL22445331 0.57 KDM4C (0.36) NPC1MITFS1PR4ALDH1A1MAPT
SCHEMBL5091798 0.55 TSHR (0.44) ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL12133543 0.55 POLB (0.37) NPC1MITFS1PR4ALDH1A1MAPT

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-8501242-B2 Methods and compositions for treating neoplasia UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-08-06 US disclosed
US-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION 2012-06-21 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-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA TYMS, UNG, TYMP NPC1 939/4885MITF 2667/4885S1PR4 3090/4885

“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.