SCHEMBL5585138

SCHEMBL5585138

Cc1cnc(-c2cc3c(O)cccc3s2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 3/20 0.31
RAB9A P51151 3/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 1/20 0.31
MAPT P10636 2/20 0.30
MCL1 Q07820 1/20 0.30
LMNA P02545 1/20 0.30
IDE P14735 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
IKBKB O14920 1/20 0.30
HSD17B1 P14061 1/20 0.30

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
SCHEMBL5584128 0.79 DYRK3 (0.43) CA2KDM4ERAB9ANPC1MAPT
SCHEMBL5584151 0.75 HDAC4 (0.41) CA2MEN1RAB9AKMT2ANPC1
SCHEMBL5584314 0.71 F2RL3 (0.40) KDM4EMEN1KMT2AMAOAMAPT
SCHEMBL3961533 0.69 CA2 (0.37) CA2KDM4E
SCHEMBL11973132 0.68 CA2 (0.46) CA2KDM4EMEN1RAB9AKMT2A
SCHEMBL17866234 0.68 CA2 (0.53) CA2KDM4EMEN1RAB9AKMT2A
SCHEMBL18133633 0.68 PGR (0.30)
SCHEMBL18955869 0.67 TTR (0.45) KDM4EMEN1RAB9AKMT2ANPC1
SCHEMBL5584224 0.67 PDE4D (0.42) CA2KDM4EMAOA
SCHEMBL14864788 0.67 ALDH1A1 (0.36) CA2KDM4EMEN1RAB9AKMT2A

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 CA2 2936/4885KDM4E 610/4885MEN1 2975/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CA2 2936/4885KDM4E 610/4885MEN1 2975/4885

“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.