SCHEMBL355497

SCHEMBL355497

CCc1cnc(-c2ccc(Br)c(F)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.43
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 4/20 0.37
CYP1A2 P05177 2/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL16072945 0.74 CYP1A2 (0.49) NPY2RHDAC6KDM4ELMNATP53
SCHEMBL27007795 0.73 NPC1 (0.53) KDM4ELMNATP53POLBSMN1; SMN2
SCHEMBL355437 0.73 CHRNB2 (0.45) KDM4ELMNATP53POLBSMN1; SMN2
SCHEMBL12827256 0.72 CYP11B1 (0.55) NPY2RHDAC1HDAC2HDAC3HDAC4
SCHEMBL27697969 0.70 NPC1 (0.49) KDM4ESMN1; SMN2CYP11B1CYP11B2ALDH1A1
SCHEMBL1199264 0.70 NOTUM (0.46) KDM4ELMNATP53POLBSMN1; SMN2
SCHEMBL1200013 0.70 KDM4E (0.58) KDM4ELMNATP53POLBSMN1; SMN2
SCHEMBL20153640 0.70 AHR (0.41) NPY2RKDM4ESMN1; SMN2CYP1A2CYP11B1
SCHEMBL31371305 0.68 KIF11 (0.42) LMNACYP1A2IDO1CYP11B1CYP11B2
SCHEMBL2299673 0.68 KIF11 (0.55) KDM4ELMNACYP1A2IDO1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R NPY2R 1/4885HDAC1 2484/4885HDAC2 699/4885

“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.