SCHEMBL9984392

SCHEMBL9984392

N#Cc1ccc(NC2CCNCC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DPP4 P27487 3/20 0.47
IDO1 P14902 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
P2RX7 Q99572 1/20 0.41
NOS2 P35228 4/20 0.41
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
SLC22A12 Q96S37 2/20 0.41
HTR6 P50406 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
Hydrochloric Acid SCHEMBL382423 0.99 HDAC8 (0.47) HDAC8HDAC6DPP4IDO1CTSL
SCHEMBL3022620 0.92 DPP4 (0.47) HDAC8HDAC6DPP4IDO1P2RX7
SCHEMBL5031297 0.92 DPP4 (0.47) HDAC8HDAC6DPP4IDO1P2RX7
SCHEMBL25905013 0.82 HDAC8 (0.48) HDAC8HDAC6DPP4IDO1SLC22A12
SCHEMBL3125940 0.82 HDAC8 (0.48) HDAC8HDAC6DPP4IDO1SLC22A12
SCHEMBL6213417 0.81 P2RX7 (0.49) P2RX7HTR6
SCHEMBL27478239 0.79 CTSL (0.42) CTSLCTSBCTSSCTSKNOS2
SCHEMBL1704157 0.79 CTSL (0.47) CTSLCTSBCTSSCTSKHTR6
SCHEMBL381677 0.79 TRPA1 (0.53) CTSLCTSBCTSSCTSKSLC22A12
SCHEMBL24299484 0.78 HDAC8 (0.53) HDAC8HDAC6DPP4IDO1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO HDAC8 1529/4885HDAC6 138/4885DPP4 129/4885

“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.