SCHEMBL2827646

SCHEMBL2827646

O=[C]CN1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CHRM2 P08172 9/20 0.55
CHRM4 P08173 9/20 0.55
CHRM1 P11229 9/20 0.55
CHRM3 P20309 9/20 0.55
GAA P10253 1/20 0.54
USP2 O75604 1/20 0.50
CDK4 P11802 1/20 0.50
ALOX15 P16050 1/20 0.50
CCND1 P24385 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALPL P05186 1/20 0.47
ALPG P10696 1/20 0.47

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
SCHEMBL8069229 0.89 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL11521841 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL4106226 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL13937603 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL7951597 0.80 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL4118482 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3108676 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL19908414 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3115249 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3233063 0.77 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 US disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed
US-6071895-A RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP NARHEX LIMITED (HK) 2000-06-06 US disclosed
US-5888992-A PROTEASE INHIBITOR; VIRICIDE NARHEX LIMITED (HK) 1999-03-30 US disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO 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 (3 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 ALDH1A1 502/4885MEN1 3981/4885KMT2A 101/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 642/4885MEN1 3576/4885KMT2A 70/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 ALDH1A1 567/4885MEN1 4089/4885KMT2A 107/4885

“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.