SCHEMBL6799418

SCHEMBL6799418

O=C(Nc1cccc(-c2ccnnc2)c1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CNR1 P21554 1/20 0.43
ROCK2 O75116 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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 0.88 KDM4E (0.54) PPARGCYP2C9TSHRCNR1ROCK2
SCHEMBL6802789 0.85 CNR1 (0.47) PPARGCYP2C9TSHRCNR1ROCK2
SCHEMBL6803374 0.83 PPARG (0.45) PPARGCYP2C9TSHRCNR1ROCK2
SCHEMBL6808746 0.81 ROCK2 (0.48) PPARGCYP2C9TSHRCNR1ROCK2
SCHEMBL6628576 0.79 CYP2C9 (0.56) PPARGCYP2C9TSHRKDM4ELMNA
SCHEMBL678882 0.76 ALDH1A1 (0.59) PPARGCYP2C9TSHRLMNAMEN1
SCHEMBL6754382 0.76 PPARG (0.48) PPARGCYP2C9TSHRROCK2KDM4E
SCHEMBL7479042 0.76 L3MBTL1 (0.44) PPARGCYP2C9TSHRCNR1KDM4E
SCHEMBL6759795 0.75 CYP2C9 (0.50) PPARGCYP2C9TSHRKDM4ELMNA
SCHEMBL6759622 0.74 KDM4E (0.51) PPARGCYP2C9TSHRKDM4ELMNA

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 4 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
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 WO 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 PPARG 1019/4885CYP2C9 125/4885TSHR 112/4885

“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.