SCHEMBL22495865

SCHEMBL22495865

COC(=O)C=CC1CC2CC1CC2c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
KDM1A O60341 4/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A4 P31645 1/20 0.37
HDAC4 P56524 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
SCHEMBL21035177 1.00 SLC6A3 (0.41) SLC6A3KDM1AATMSMN1; SMN2NPSR1
SCHEMBL22510391 0.86 TSHR (0.38) SLC6A3KDM1ANPSR1
SCHEMBL22495822 0.84 HDAC4 (0.38) SLC6A3KDM1ASMN1; SMN2NPSR1HDAC4
SCHEMBL21035178 0.84 HDAC4 (0.38) SLC6A3KDM1ASMN1; SMN2NPSR1HDAC4
SCHEMBL899999 0.73 MAOB (0.41) SLC6A3KDM1AHDAC4
SCHEMBL21035176 0.70 HDAC1 (0.42) KDM1AHDAC4
SCHEMBL22495785 0.70 HDAC1 (0.42) KDM1AHDAC4
SCHEMBL22495786 0.70 HDAC1 (0.42) KDM1AHDAC4
SCHEMBL15466643 0.70 MAOB (0.41) SLC6A3KDM1A
SCHEMBL14379117 0.69 HDAC2 (0.50) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases BEIGENE, LTD. (KY) 2022-10-18 US disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 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 (2 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-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO2, IDO1, TPH2 SLC6A3 343/4885KDM1A 128/4885ATM 3336/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 SLC6A3 554/4885KDM1A 144/4885ATM 3662/4885

“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.