SCHEMBL9263214

SCHEMBL9263214

CC(C)(C)c1cccc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.47
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ RORB Q92753 1/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PTPN5 P54829 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37

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
SCHEMBL24107260 0.84 KIF11 (0.46) KIF11RXRARXRBRORCRORB
SCHEMBL14602199 0.81 CNR2 (0.46) KIF11RORBP2RX7CNR2NPC1
SCHEMBL9260942 0.77 KIF11 (0.46) KIF11RXRARXRBRORCRORB
SCHEMBL5547288 0.76 KIF11 (0.72) KIF11RXRARXRBPTPN5HDAC4
SCHEMBL30023786 0.76 KIF11 (0.72) KIF11RXRARXRBPTPN5HDAC4
Hydrogen Sulfide SCHEMBL27798476 0.76 KIF11 (0.52) KIF11RXRARXRBPTPN5PTAFR
SCHEMBL8817721 0.76 ACHE (0.42) PTGES2SCN9ACNR2L3MBTL1MAPK14
SCHEMBL31115680 0.76 KIF11 (0.52) KIF11RXRARXRBPTPN5PTAFR
SCHEMBL4445051 0.75 TDO2 (0.44) RORBPTGES2SCN9ACNR2CYP2A6
SCHEMBL9261001 0.75 KIF11 (0.44) KIF11RXRARXRBRORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP KIF11 3917/4885RXRA 4297/4885RXRB 3838/4885

“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.

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