SCHEMBL412430

SCHEMBL412430

CCC(=O)Cn1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.54
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALPG P10696 1/20 0.45
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
HBB P68871 1/20 0.41
TP53 P04637 2/20 0.38
KCNJ1 P48048 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
STAT5B P51692 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL48809 0.81
Water SCHEMBL11813782 0.77 HMOX1 (0.51) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL11855291 0.77 HMOX1 (0.51) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL3762300 0.77
SCHEMBL1178106 0.77
Hydrochloric Acid SCHEMBL1375622 0.77 HMOX1 (0.51) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL11120387 0.76 ALDH1A1 (0.45) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL9911549 0.76 ALDH1A1 (0.47) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL9972655 0.76 ALDH1A1 (0.52) HMOX1ALDH1A1MEN1KMT2AALPG
SCHEMBL315947 0.76 ALDH1A1 (0.52) HMOX1ALDH1A1MEN1KMT2AALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885ALDH1A1 394/4885MEN1 2143/4885

“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.