SCHEMBL6340697

SCHEMBL6340697

CN1CCN(C(=O)Nc2ccc3ccc4c(C(N)=O)nn(-c5ccc(F)cc5)c4c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
IKBKB O14920 6/20 0.46
CHUK O15111 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PANK3 Q9H999 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL6342499 0.79 PTGS2 (0.44) IKBKBALDH1A1CA12CA1CA2
SCHEMBL6343763 0.76 IKBKB (0.49) IKBKBCHUKALDH1A1MAPTRAB9A
SCHEMBL6345828 0.75 SCN9A (0.44) IKBKBCA1CA2CA9MAPT
SCHEMBL10053027 0.72 KMT2A (0.71) HTR1AHTR1DHTR1BHTR2AALDH1A1
SCHEMBL6342102 0.72 CA2 (0.48) IKBKBALDH1A1CA12CA1CA2
SCHEMBL14558270 0.70 IKBKB (0.57) IKBKBCHUKMAPTSMN1; SMN2NPC1
SCHEMBL6345063 0.70 RAB9A (0.43) IKBKBALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6343697 0.69 PTGS2 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6344425 0.69 IKBKB (0.45) IKBKBALDH1A1MAPTNPC1RAB9A
SCHEMBL6345751 0.68 CA1 (0.44) IKBKBCA12CA1CA2CA9

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
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP claimed
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-07-03 US claimed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 WO claimed
US-6849653-B2 1H-benzo(g)indazole compounds as anticarcinogenic agents and also treat arthritis PHARMACIA CORPORATION (US) 2005-02-01 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-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation IRAK4, NLRP3, CXCL8 HTR1A 3209/4885HTR1D 4095/4885HTR1B 3238/4885

“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.