SCHEMBL3733923

SCHEMBL3733923

NC1(C(=O)O)Cc2ccccc2CN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CXCR5 P32302 3/20 0.34
PARP1 P09874 1/20 0.34
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
HSD17B3 P37058 1/20 0.33
MME P08473 1/20 0.33
PRCP P42785 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL5334825 0.75 ALDH1A1 (0.40) HDAC9GAAMAPT
SCHEMBL30868729 0.75 MME (0.37) HDAC9MMEMMP8
Hydrochloric Acid SCHEMBL2084296 0.74 ALDH1A1 (0.42) HDAC9GAAMAPT
SCHEMBL29476532 0.72 HDAC9 (0.44) HDAC9DPP9DPP7CXCR5MME
SCHEMBL122942 0.72 HDAC9 (0.44) HDAC9DPP9DPP7CXCR5MME
Hydrochloric Acid SCHEMBL1168670 0.71 HDAC9 (0.43) HDAC9DPP9DPP7CXCR5MME
SCHEMBL6830859 0.70 LMNA (0.40) HDAC9MAPTMMP8
SCHEMBL10282913 0.69 ALDH1A1 (0.41) MAPT
SCHEMBL27494959 0.69 CA12 (0.33) MAPTPRCP
SCHEMBL7038616 0.69 ALDH1A1 (0.35) HDAC9GAAMAPTCXCR5MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000535-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2018-06-19 US claimed
US-10000535-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2018-06-19 US disclosed
US-20140107031-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2014-04-17 US disclosed
US-8633163-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2014-01-21 US disclosed
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2010-04-15 US disclosed
EP-2114986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ltd. (CH) 2009-11-11 EP disclosed
WO-2008092281-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2008-08-07 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-20140107031-A1 TEMPLATE-FIXED PEPTIDOMIMETICS CCR10, CXCR3, CCR5 HDAC9 2835/4885GAA 2377/4885MAPT 2455/4885
US-10000535-B2 Template-fixed peptidomimetics CCR10, CXCR3, CCR5 HDAC9 2835/4885GAA 2377/4885MAPT 2455/4885
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS CCR10, CXCR3, CCR1 HDAC9 3050/4885GAA 2213/4885MAPT 2423/4885

“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.