SCHEMBL29501133

SCHEMBL29501133

NC(=O)c1ccc2c(c1)OCC1(CC1)N=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
CHEK2 O96017 3/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
KDM1A O60341 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
CYP17A1 P05093 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
LCK P06239 1/20 0.31
IP6K1 Q92551 1/20 0.31

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
SCHEMBL23610586 0.70 TSHR (0.46) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL23610585 0.70 TSHR (0.46) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL31474283 0.69 TSHR (0.51) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL6649922 0.67 STS (0.54) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL28157952 0.66 TSHR (0.51) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL29503193 0.66 PRSS1 (0.53) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL21711526 0.65 TSHR (0.42) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL16742350 0.64 PRSS1 (0.51) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL624490 0.63 TSHR (1.00) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL29410881 0.63 TSHR (1.00) TSHRNPC1RAB9ACASP3SMN1; 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-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 US disclosed
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TSHR 2744/4885NPC1 1803/4885RAB9A 3532/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TSHR 2463/4885NPC1 1887/4885RAB9A 2943/4885

“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.