SCHEMBL21884596

SCHEMBL21884596

N=C(N)NC(=O)c1c(O)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SPR P35270 1/20 0.37
TTR P02766 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR2 P25025 1/20 0.33
CX3CR1 P49238 1/20 0.33
SCN5A Q14524 2/20 0.32
SCN2A Q99250 2/20 0.32
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 2/20 0.32
PLG P00747 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL21884599 0.85 HSD17B1 (0.35) SCN5ASCN2AF2F10PLAU
SCHEMBL21884598 0.80 CXCR1 (0.35) GAACXCR2
SCHEMBL21884595 0.79 FABP4 (0.39) HTTSCN5ASCN2AF2F10
SCHEMBL8668403 0.75 MAPT (0.47) CYP3A4GAASCN5ASCN2AF2
Hydrochloric Acid SCHEMBL7942179 0.74 MAPT (0.46) CYP3A4GAASCN5ASCN2AF2
SCHEMBL21884572 0.73 TAS1R3 (0.33) HTTKMT2AKDM4EALDH1A1TSHR
SCHEMBL7110738 0.72 ALOX15 (0.48) GAAKMT2AKDM4EALDH1A1
SCHEMBL28880636 0.72 CYP3A4 (0.35) CYP3A4MAPK1KMT2ADPP4CLCN2
SCHEMBL10732724 0.71 CLCN2 (0.41) CYP3A4MAPK1CXCR2CX3CR1F2
SCHEMBL23875335 0.70 P2RX1 (0.57) KMT2A

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 CYP3A4 4315/4885MAPK1 3784/4885SPR 219/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CYP3A4 4879/4885MAPK1 3265/4885SPR 2185/4885

“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.