SCHEMBL21884470

SCHEMBL21884470

N#CCc1ccc(O)c(C(=O)NC(=N)N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
KLKB1 P03952 2/20 0.37
CTSB P07858 1/20 0.37
MMP9 P14780 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3B Q9UBC3 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
F10 P00742 4/20 0.36
PLAU P00749 4/20 0.36
PLAT P00750 4/20 0.36
F2 P00734 3/20 0.36
LCK P06239 1/20 0.35
PLG P00747 2/20 0.34
KLK1 P06870 2/20 0.34
KLK6 Q92876 2/20 0.34
TMPRSS4 Q9NRS4 2/20 0.34
HNF4A P41235 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21884643 0.78 TMPRSS4 (0.51) F10PLAUPLATF2TMPRSS4
SCHEMBL11085442 0.74 MAOA (0.46) KMT2AKLKB1CTSBMMP9DNMT1
SCHEMBL21884653 0.73 PLAU (0.61) KMT2AF10PLAUPLATF2
SCHEMBL23875335 0.73 P2RX1 (0.57) KMT2ATMPRSS4MAPT
SCHEMBL21884644 0.73 PPIA (0.50) KMT2AF10PLAUPLATF2
SCHEMBL8445926 0.71 PLAU (0.48) F10PLAUPLATF2PLG
SCHEMBL21884658 0.70 TMPRSS4 (0.50) KMT2ATMPRSS4NPC1
SCHEMBL21884580 0.70 PLAU (0.53) KMT2AF10PLAUPLATF2
SCHEMBL11581723 0.70 FFAR1 (0.46) KMT2AKLKB1CTSBMMP9DNMT1
Hydrochloric Acid SCHEMBL8445397 0.70 F10 (0.47) KMT2AF10PLAUPLATF2

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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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 (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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 KMT2A 1645/4885KLKB1 436/4885CTSB 1639/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KMT2A 3637/4885KLKB1 3567/4885CTSB 2597/4885

“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.