SCHEMBL10090707

SCHEMBL10090707

O=C1CC(c2ccccc2)c2cc3c(cc2N1)CCC3

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ LMNA P02545 4/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ MAPT P10636 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL10280292 0.86 LMNA (0.75) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL880456 0.86 KMT2A (0.64) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL880276 0.85 LMNA (1.00) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL880296 0.85 KMT2A (0.74) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL852839 0.85 KMT2A (1.00) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL10280720 0.85 KMT2A (0.74) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL853892 0.82 KMT2A (0.69) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL12162833 0.82 KMT2A (0.69) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL880347 0.82 LMNA (1.00) KMT2ANPC1MEN1LMNARAB9A
SCHEMBL7156373 0.77 ALDH1A1 (0.58) KMT2ANPC1MEN1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 — — WO 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885NPC1 1073/4885MEN1 391/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885NPC1 1073/4885MEN1 391/4885

“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.

Send feedback