SCHEMBL23957170

SCHEMBL23957170

O=C1CC2(CNC2)Oc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC3 O15379 6/20 0.46
HDAC4 P56524 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC7 Q8WUI4 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC9 Q9UKV0 6/20 0.46
HDAC5 Q9UQL6 6/20 0.46
HTR2C P28335 1/20 0.42
MAOB P27338 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PPOX P50336 1/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
ACACB O00763 1/20 0.37
PGR P06401 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
SCHEMBL23957151 0.88 HDAC3 (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL31020827 0.87 HDAC3 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL23928850 0.87 HDAC3 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL11107269 0.83 KDM4E (0.56) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL617446 0.83 KDM4E (0.52) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL23957089 0.82 HDAC3 (0.46) HDAC8HDAC6HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL21617952 0.81 HDAC3 (0.45) HDAC8HDAC6HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL30016232 0.81 HDAC3 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL23957134 0.79 HDAC3 (0.44) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL23957116 0.78 ATM (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1

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-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 HDAC8 222/4885HDAC6 537/4885HDAC3 120/4885

“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.