SCHEMBL22018876

SCHEMBL22018876

COCCc1cccnc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.43
MYC P01106 1/20 0.43
SLC13A5 Q86YT5 1/20 0.40
KMT2A Q03164 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PTPN1 P18031 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
SCHEMBL28805406 0.86 KDM4E (0.41) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL21957936 0.84 KDM4E (0.55) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL1503284 0.83 KDM4E (0.62) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL22653038 0.81 KDM4E (0.64) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL4477892 0.81 KDM4E (0.55) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL14358101 0.80 KDM4E (0.66) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL353589 0.79 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1ALOX15
Benzene SCHEMBL11818131 0.79 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL9295028 0.79 KDM4E (0.60) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL29852763 0.78 KDM4E (0.48) KDM4EMAPTCYP1A2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 US 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 (1 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB KDM4E 1774/4885MAPT 4092/4885CYP1A2 2057/4885

“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.