SCHEMBL21180512

SCHEMBL21180512

Oc1cnc(NC2(c3ccccc3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.66
HDAC6 Q9UBN7 15/20 0.64
HDAC3 O15379 12/20 0.64
HDAC1 Q13547 12/20 0.64
HDAC2 Q92769 12/20 0.64
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL20491187 0.83 HDAC6 (0.64) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19710840 0.83 VNN1 (0.61) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL20491534 0.82 VNN1 (0.78) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18286325 0.80 VNN1 (1.00) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL20491522 0.79 VNN1 (0.64) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL4730434 0.79 HDAC3 (1.00) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL17813775 0.79 HDAC3 (0.71) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL17814775 0.77 VNN1 (0.63) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18742508 0.77 HDAC3 (0.78) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL16647259 0.77 HDAC6 (0.58) VNN1HDAC6HDAC3HDAC1HDAC2

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-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 US disclosed
US-10357493-B2 Metalloenzyme inhibitor compounds SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2019-07-23 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-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 VNN1 1112/4885HDAC6 1/4885HDAC3 7/4885
US-10357493-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 VNN1 1112/4885HDAC6 1/4885HDAC3 7/4885

“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.