SCHEMBL21884599

SCHEMBL21884599

N=C(N)NC(=O)c1c(O)ccc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.35
HSD17B2 P37059 4/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PYGL P06737 1/20 0.33
CA9 Q16790 1/20 0.33
SORT1 Q99523 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
PLAU P00749 2/20 0.31
PLAT P00750 2/20 0.31
PLG P00747 1/20 0.31
P2RX1 P51575 2/20 0.31
KCNMA1 Q12791 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL21884596 0.85 CYP3A4 (0.39) KMT2ASCN5ASCN2AF2F10
SCHEMBL21884517 0.79 HSD17B1 (0.34) HSD17B1HSD17B2
SCHEMBL21884595 0.78 FABP4 (0.39) SCN5ASCN2AF2F10PLAU
SCHEMBL21884438 0.76 PPIA (0.33) HSD17B1HSD17B2MEN1KMT2AP2RX1
SCHEMBL21884622 0.76 HSD17B1 (0.38) HSD17B1HSD17B2
SCHEMBL8668403 0.74 MAPT (0.47) KMT2ASCN5ASCN2AF2F10
SCHEMBL21884444 0.73 PYGL (0.40) MEN1KMT2APYGLKCNMA1
SCHEMBL21884598 0.73 CXCR1 (0.35) P2RX1
Hydrochloric Acid SCHEMBL7942179 0.73 MAPT (0.46) KMT2ASCN5ASCN2AF2F10
SCHEMBL30954156 0.71 DPP4 (0.54) HSD17B1HSD17B2CA1CA2CA9

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 HSD17B1 1039/4885HSD17B2 1221/4885CA1 2338/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 HSD17B1 4048/4885HSD17B2 4093/4885CA1 4586/4885

“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.