SCHEMBL5532340

SCHEMBL5532340

N#Cc1cccc(NC(=O)c2ccc(C(=O)O)cc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
P2RX1 P51575 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
EGLN1 Q9GZT9 1/20 0.50
HDAC1 Q13547 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 1/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
GCK P35557 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL5666232 0.83 HTT (0.72) HTTP2RX1NR1H4EGLN1HDAC1
SCHEMBL13023090 0.81 PTPN11 (0.55) HTTNR1H4HDAC1MEN1KMT2A
SCHEMBL23725396 0.81 P2RX1 (0.55) HTTP2RX1NR1H4ALDH1A1MAPT
SCHEMBL10244256 0.81 FADS1 (0.64) P2RX1NR1H4GRM4MEN1KMT2A
SCHEMBL13023051 0.80 MEN1 (0.60) HTTP2RX1NR1H4HDAC1MEN1
SCHEMBL13210705 0.79 NAMPT (0.66) HTTP2RX1NR1H4HDAC1GRM4
SCHEMBL28806576 0.79 HTT (0.67) HTTP2RX1NR1H4EGLN1HDAC1
SCHEMBL12700379 0.79 HTT (1.00) HTTP2RX1NR1H4EGLN1GRM4
Benzonitrile SCHEMBL29036464 0.78 ALDH1A1 (0.49) HTTALDH1A1MAPTIDO1
Hydrochloric Acid SCHEMBL2104599 0.78 HTT (0.60) HTTNR1H4MEN1KMT2A

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 HTT 196/4885P2RX1 3472/4885NR1H4 286/4885

“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.