SCHEMBL6402612

SCHEMBL6402612

Cc1ccc(C)c(N/C(N)=N\C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL6402616 1.00 MEN1 (0.54) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL6400976 0.81 SIGMAR1 (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL6400980 0.81 SIGMAR1 (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL3712254 0.79 POLB (0.59) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL7915386 0.79 POLB (0.59) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL11236640 0.77 GRIN2D (0.58) MEN1KMT2APOLBCYP1A2ALDH1A1
SCHEMBL3714533 0.73 ALDH1A1 (0.53) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL32670809 0.73 ALDH1A1 (0.68) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL1092461 0.73 RAB9A (0.58) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL5528760 0.73 ALDH1A1 (0.68) MEN1KMT2APOLBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 MEN1 4689/4885KMT2A 4090/4885POLB 4769/4885

“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.