SCHEMBL9254201

SCHEMBL9254201

COc1c(Cl)cccc1-c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.38
HSD11B1 P28845 2/20 0.36
CYP2A6 P11509 1/20 0.35
CA2 P00918 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERN1 O75460 1/20 0.33
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL10263003 0.83 CA2 (0.41) KDM4ENPC1RAB9APKMMAPT
SCHEMBL9258418 0.81 GAA (0.43) KDM4ENPC1RAB9AMAPTCA2
SCHEMBL9261398 0.79 CYP2A6 (0.44) NPC1RAB9AHSD11B1CYP2A6CA2
SCHEMBL9257718 0.78 P2RX7 (0.41) HSD11B1CYP2A6CA2ALDH1A1TSHR
SCHEMBL19897383 0.77 KDM4E (0.47) KDM4ENPC1RAB9APKMMAPT
SCHEMBL9260774 0.76 CA2 (0.41) NPC1RAB9AHSD11B1CYP2A6CA2
SCHEMBL27907980 0.74 CYP2A6 (0.61) KDM4ENPC1RAB9APKMMAPT
SCHEMBL1194484 0.74 ALDH1A1 (0.55) KDM4ENPC1RAB9AMAPTHSD11B1
SCHEMBL3416440 0.74 EGFR (0.40) KDM4ERAB9AMAPTHSD11B1CA2
SCHEMBL9254220 0.73 HSP90AA1 (0.42) CYP2A6CA2

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 KDM4E 2337/4885NPC1 3394/4885RAB9A 4193/4885

“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.