SCHEMBL2485281

SCHEMBL2485281

CN(C(=O)NCl)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
POLQ O75417 1/20 0.42
PYGL P06737 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GRM5 P41594 2/20 0.40
HTT P42858 2/20 0.40
CSF1R P07333 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL2488107 0.85 NOTUM (0.48) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL16295458 0.81 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL14324470 0.80 POLQ (0.48) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL25474773 0.80 NOTUM (0.44) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL28432860 0.79 KMT2A (0.57) GAAHPGDALDH1A1GRM5KMT2A
SCHEMBL3576501 0.79 NOTUM (0.51) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL965251 0.79 NOTUM (0.51) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL11554950 0.78 PKM (0.53) ALDH1A1HTTKDM4EKMT2ALMNA
SCHEMBL26957589 0.78 NOTUM (0.51) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL427122 0.77 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US disclosed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 EP disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 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 (3 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885TRPV1 1145/4885GAA 1103/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885TRPV1 1145/4885GAA 1103/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885TRPV1 1145/4885GAA 1103/4885

“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.