SCHEMBL5584864

SCHEMBL5584864

COc1cccc2cc(C(=O)NNC(=O)C(F)(F)F)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RECQL P46063 1/20 0.60
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 5/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
CHRNA7 P36544 1/20 0.51
HSD17B10 Q99714 1/20 0.50
BMP1 P13497 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 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
SCHEMBL5584565 0.82 RAB9A (0.72) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL5584584 0.81 HTT (0.45) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5584871 0.79 KMT2A (0.72) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL5584678 0.77 LMNA (0.75) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL6833294 0.76 RAB9A (0.66) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL6839243 0.76 NPC1 (0.74) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL219813 0.76 LMNA (1.00) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL978037 0.76 LMNA (0.77) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL6241548 0.75 BCAT1 (0.63) LMNARECQLALDH1A1KMT2ARAB9A
SCHEMBL24766411 0.75 LMNA (0.63) LMNARECQLALDH1A1KMT2ARAB9A

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 LMNA 3559/4885RECQL 2332/4885ALDH1A1 443/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A LMNA 3559/4885RECQL 2332/4885ALDH1A1 443/4885

“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.