SCHEMBL17075889

SCHEMBL17075889

O=S(=O)(c1ccc(-c2ccc3cnnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.47
EGFR P00533 10/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PTK6 Q13882 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL17075842 0.94 ERBB2 (0.47) ERBB2EGFRNPC1ALDH1A1TSHR
SCHEMBL17075823 0.89 ERBB2 (0.48) ERBB2EGFRNPC1ALDH1A1TSHR
SCHEMBL17075903 0.87 ERBB2 (0.46) ERBB2EGFRNPC1ALDH1A1TSHR
SCHEMBL17075833 0.85 ERBB2 (0.46) ERBB2EGFRNPC1ALDH1A1TSHR
SCHEMBL17075803 0.85 ERBB2 (0.48) ERBB2EGFRNPC1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL17075893 0.85 EGFR (0.58) ERBB2EGFR
SCHEMBL17075824 0.83 EGFR (0.54) ERBB2EGFR
SCHEMBL17075838 0.82 ERBB2 (0.52) ERBB2EGFRNPC1ALDH1A1TSHR
SCHEMBL17075817 0.81 EGFR (0.52) ERBB2EGFR
SCHEMBL17075848 0.80 ERBB2 (0.52) ERBB2EGFRNPC1ALDH1A1TSHR

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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO ERBB2 4468/4885EGFR 4389/4885NPC1 2371/4885

“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.