SCHEMBL899036

SCHEMBL899036

CC(C)C(Nc1ccnc2ccccc12)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
FERMT2 Q96AC1 1/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
DNMT1 P26358 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
ACHE P22303 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
DNMT3L Q9UJW3 1/20 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
SCHEMBL19951671 0.78 PTPN1 (0.51) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL19951672 0.78 PTPN1 (0.51) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL29516922 0.78 PTPN1 (0.51) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL15912060 0.77 HTR1A (0.58) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL1902196 0.76 PTPN1 (0.67) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL15577909 0.75 ELANE (0.57) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL15577623 0.75 ELANE (0.57) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL899207 0.74 FERMT2 (0.54) PTPN1PTPN11HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL7369035 0.74 PTPN1 (0.65) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL13100945 0.74 PTPN1 (0.60) PTPN1PTPN11HTR1AADRA1DADRA1A

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
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
CN-105294549-A N-HETEROARYL COMPOUNDS INTERVET INT BV 2016-02-03 CN disclosed
CN-103189356-B N-heteroaryl compounds INTERVET INTERNATIONAL B.V. (NL) 2015-11-25 CN disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
CN-103189356-A N-heteroaryl compounds INTERVET INT BV 2013-07-03 CN disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO PTPN1 3847/4885PTPN11 3551/4885HTR1A 1385/4885

“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.