SCHEMBL5341813

SCHEMBL5341813

Cc1ccccc1C/C(N)=N\C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SHBG P04278 1/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL5341820 1.00 CTBP2 (0.42) CTBP2POLBTAAR1LMNASMN1; SMN2
SCHEMBL19611620 0.78 LMNA (0.61) CTBP2TAAR1LMNASMN1; SMN2MAPK8
SCHEMBL102787 0.78 LMNA (0.61) CTBP2TAAR1LMNASMN1; SMN2MAPK8
SCHEMBL102788 0.78 LMNA (0.61) CTBP2TAAR1LMNASMN1; SMN2MAPK8
SCHEMBL5343939 0.78 P2RX7 (0.36) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL14588582 0.77 TAAR1 (0.41) CTBP2POLBTAAR1LMNASMN1; SMN2
SCHEMBL5342412 0.76 CTBP2 (0.40) CTBP2TAAR1SMN1; SMN2MAPK8MAPT
SCHEMBL5342416 0.76 CTBP2 (0.40) CTBP2TAAR1SMN1; SMN2MAPK8MAPT
SCHEMBL25947808 0.74 CTBP2 (0.44) CTBP2TAAR1LMNASMN1; SMN2MAPK8
SCHEMBL14089600 0.72 LMNA (0.49) POLBLMNASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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 (2 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 CTBP2 1947/4885POLB 4148/4885TAAR1 198/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 CTBP2 1947/4885POLB 4148/4885TAAR1 198/4885

“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.