SCHEMBL5584343

SCHEMBL5584343

Oc1cccc2cc(-c3nnc(-c4ccccc4)o3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.52
RAB9A P51151 13/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
TSHR P16473 4/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MECP2 P51608 1/20 0.47
MAOA P21397 2/20 0.46
POLB P06746 2/20 0.46
MAOB P27338 1/20 0.46
CA1 P00915 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
SCHEMBL30892693 0.82 MAOA (0.66) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL5585419 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL5584613 0.80 MAOA (0.42) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL5584744 0.77 AKR1C3 (0.42) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL27628825 0.74 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL14378791 0.72 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL46426 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL6450028 0.72 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10299385 0.72 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL8291485 0.71 CYP1A1 (0.49) NPC1RAB9AADORA3ADORA2AADORA1

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 NPC1 2906/4885RAB9A 2487/4885SMN1; SMN2 3563/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NPC1 2906/4885RAB9A 2487/4885SMN1; SMN2 3563/4885

“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.