SCHEMBL9260942

SCHEMBL9260942

CC(C)(C)c1cccc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ CNR1 P21554 2/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ RORC P51449 2/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ RORB Q92753 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CCR9 P51686 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL16574080 0.85 KIF11 (0.45) KIF11CNR1P2RX1RXRARXRB
SCHEMBL18713819 0.81 KIF11 (0.41) KIF11CNR1P2RX1RXRARXRB
SCHEMBL9261780 0.81 PTPN5 (0.46) KIF11RXRARXRB
SCHEMBL3269842 0.79 TDO2 (0.46) PTGES2RORBHTR2BPDE4DTP53
SCHEMBL12529437 0.78 KIF11 (0.61) KIF11CNR1P2RX1RXRARXRB
SCHEMBL18713557 0.77 KIF11 (0.39) KIF11CNR1P2RX1RXRARXRB
SCHEMBL9263214 0.77 KIF11 (0.47) KIF11RXRARXRBPTGES2RORC
SCHEMBL21367820 0.77 CYP2A6 (0.48) KIF11CNR1RXRARXRBRORB
SCHEMBL29441583 0.75 HDAC4 (0.47) KIF11P2RX1RXRARXRBHDAC4
SCHEMBL78619 0.75 HDAC4 (0.47) KIF11P2RX1RXRARXRBHDAC4

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 3917/4885CNR1 2119/4885P2RX1 2283/4885

“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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