SCHEMBL2970656

SCHEMBL2970656

NC(=O)c1n[c]cn1CCNCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
OPRM1 P35372 6/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
DPP7 Q9UHL4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL2974384 0.93 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2970525 0.81 CHRM2 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2967647 0.81 CHRM2 (0.43) HDAC8HDAC6DPP7TDP1KCNH2
SCHEMBL2982077 0.80 CHRM2 (0.49) AURKA
SCHEMBL2980013 0.79 KDM4E (0.40) HDAC1KMT2AMEN1AURKARPS6KB1
SCHEMBL2972631 0.79 ADRA1D (0.46) KMT2APARP1KDM4EALDH1A1
SCHEMBL2971685 0.77 CHRM2 (0.45) KMT2AMEN1AURKARPS6KB1KDM4E
SCHEMBL2968247 0.76 CHRM2 (0.46) KMT2AMEN1AURKARPS6KB1KDM4E
SCHEMBL2823793 0.76
SCHEMBL2976270 0.75 MAOB (0.44) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 HDAC3 1187/4885HDAC1 518/4885HDAC2 559/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 HDAC3 1187/4885HDAC1 518/4885HDAC2 559/4885

“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.