SCHEMBL14681380

SCHEMBL14681380

CCOc1c(OC)cc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.56
▸ MAPT P10636 13/20 0.56
▸ MEN1 O00255 13/20 0.56
▸ LMNA P02545 8/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ GAA P10253 2/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.53
▸ THRB P10828 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PIM1 P11309 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ AGTR1 P30556 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL486870 0.89 MAPT (0.66) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL486872 0.89 MAPT (0.66) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL27864630 0.75 KDM4E (0.60) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL12280671 0.74 KMT2A (0.64) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL12281983 0.73 KMT2A (0.54) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL28517448 0.73 CTSV (0.52) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL21925172 0.72 PIM1 (0.70) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL21925171 0.72 PIM1 (0.70) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL12281174 0.72 KMT2A (0.59) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL12281839 0.72 AGTR1 (0.79) KMT2AMAPTMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — 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-20130225610-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MAPT 4206/4885MEN1 391/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MAPT 4206/4885MEN1 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.

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