SCHEMBL6808746

SCHEMBL6808746

O=C(Nc1cccc(-c2cnccn2)c1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.45
ABL1 P00519 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.43
CHRNB2 P17787 1/20 0.41

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
SCHEMBL6804905 0.86 KDM4E (0.54) ROCK2KDM4EKMT2AMEN1NPC1
SCHEMBL6803374 0.83 PPARG (0.45) ROCK2KDM4EKMT2AMEN1NPC1
SCHEMBL6802789 0.83 CNR1 (0.47) ROCK2KDM4EKMT2AMEN1NPC1
SCHEMBL6799418 0.81 PPARG (0.45) ROCK2KDM4EKMT2AMEN1NPC1
SCHEMBL6628576 0.77 CYP2C9 (0.56) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL678882 0.77 ALDH1A1 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6754382 0.76 PPARG (0.48) ROCK2KDM4EKMT2AMEN1NPC1
SCHEMBL7479042 0.76 L3MBTL1 (0.44) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL6759622 0.75 KDM4E (0.51) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL6759931 0.74 RAB9A (0.40) ROCK2KDM4EKMT2AMEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US 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 (1 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A ROCK2 2418/4885KDM4E 2363/4885KMT2A 2167/4885

“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.