SCHEMBL3777697

SCHEMBL3777697

NCc1ccc(CN[C@H](C(=O)O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
MEP1B Q16820 2/20 0.48
TPSAB1 Q15661 3/20 0.46
BACE1 P56817 2/20 0.46
BACE2 Q9Y5Z0 1/20 0.46
ACP3 P15309 3/20 0.44

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
SCHEMBL19248981 0.88 MEN1 (0.59) MEN1KMT2ACYP1A2MEP1BACP3
SCHEMBL27827175 0.88 MEN1 (0.59) MEN1KMT2ACYP1A2MEP1BACP3
SCHEMBL1696017 0.88 MEN1 (0.59) MEN1KMT2ACYP1A2MEP1BACP3
SCHEMBL6243334 0.85 ALDH1A1 (0.55) MEN1KMT2ATSHRMEP1BACP3
SCHEMBL11350168 0.84 CYP1A2 (0.56) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL2485050 0.84 SMN1; SMN2 (0.59) MEN1KMT2AF2F10PRSS1
SCHEMBL16664378 0.84 ALDH1A1 (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2485602 0.84 ALDH1A1 (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2484892 0.83 ALDH1A1 (0.49) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28387051 0.81 LMNA (0.56) MEN1KMT2AMEP1B

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-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
EP-2077999-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Chroma Therapeutics Limited (GB) 2009-07-15 EP disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 MEN1 1608/4885KMT2A 92/4885CYP1A2 906/4885

“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.