SCHEMBL5584870

SCHEMBL5584870

COc1cccc2cc(NNC(=O)NN)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
ADORA2A P29274 5/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MEN1 O00255 3/20 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
SCHEMBL5585273 0.80 CA12 (0.45) KMT2AALDH1A1LMNACA12CA1
SCHEMBL5584871 0.76 KMT2A (0.72) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL4745478 0.71 KMT2A (1.00) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL5584678 0.71 LMNA (0.75) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL219813 0.69 LMNA (1.00) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL978037 0.69 LMNA (0.77) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL14259653 0.69 LMNA (0.71) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL4503151 0.68 LMNA (0.58) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL3614366 0.68 LMNA (0.75) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL4209809 0.68 LMNA (0.75) KMT2AALDH1A1LMNARECQLADORA2A

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 443/4885LMNA 3559/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885ALDH1A1 443/4885LMNA 3559/4885

“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.