SCHEMBL5584155

SCHEMBL5584155

COc1cccc2cc(/C(N)=N\O)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 2/20 0.69
HTT P42858 2/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 3/20 0.54
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48

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
SCHEMBL5584156 1.00 KMT2A (0.69) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14571510 1.00 KMT2A (0.69) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7701284 0.85 CYP1A2 (0.54) KMT2AALDH1A1HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7709270 0.83 CYP1A2 (0.53) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7701242 0.82 ALDH1A1 (0.73) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL4745478 0.82 KMT2A (1.00) KMT2AALDH1A1HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7709305 0.81 ALDH1A1 (0.71) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL5584626 0.78 CA1 (0.48) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14571509 0.78 CA1 (0.48) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL5584629 0.78 CA1 (0.48) KMT2AALDH1A1HTTKDM4ELMNA

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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885ALDH1A1 443/4885HTT 546/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885ALDH1A1 443/4885HTT 546/4885

“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.