SCHEMBL9618306

SCHEMBL9618306

N=C(N)NCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP2D6 P10635 1/20 0.57
HIF1A Q16665 1/20 0.57
CA12 O43570 7/20 0.53
CA2 P00918 7/20 0.53
CA9 Q16790 6/20 0.52
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MPO P05164 3/20 0.48
PKM P14618 1/20 0.47
HSPA5 P11021 1/20 0.46
SLC6A4 P31645 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.44
IDO1 P14902 1/20 0.44
CA1 P00915 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4827827 0.85 PIM1 (0.41) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL502196 0.81 TSHR (0.53) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL3926227 0.81 MPO (0.55) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL10425013 0.80 MTNR1A (0.38) TSHRCYP2D6HIF1AKDM4EPKM
SCHEMBL8488364 0.80 HPGD (0.46) CYP2D6KDM4EPKMCYP2C19ALDH1A1
SCHEMBL10425014 0.80 PNMT (0.39) TSHRCYP2D6HIF1AKDM4ETAAR1
Hydrochloric Acid SCHEMBL6997774 0.79 MPO (0.53) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL4014038 0.78 ALDH1A1 (0.54) CA2KDM4EPKMTAAR1MAPT
SCHEMBL31344502 0.78 RIPK1 (0.49) TSHRMPOPKMTAAR1MAPT
SCHEMBL10310299 0.78 RIPK1 (0.49) TSHRMPOPKMTAAR1MAPT

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
JP-4297449-A None JP 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
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
JP-H04297449-A N-HYDROXYBENZYLGUANIDINE DERIVATIVE AND GERMICIDE FOR AGRICULTURE AND HORTICULTURE HOKKO CHEM IND CO LTD 1992-10-21 JP 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 TSHR 2720/4885CYP2D6 2985/4885HIF1A 3335/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TSHR 4032/4885CYP2D6 4671/4885HIF1A 3741/4885

“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.