SCHEMBL21988899

SCHEMBL21988899

[2H]C([2H])([2H])C([2H])(O)c1cc(C(=O)OC)ccc1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2C8 P10632 1/20 0.40
LMNA P02545 3/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21988644 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL21989035 0.87 KCNH2 (0.48) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL30046304 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL21988643 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL21989072 0.87 MAPT (0.46) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL16869457 0.78 MAPT (0.48) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL16869458 0.78 KDM4E (0.54) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL21988886 0.77 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL24554592 0.76 MAPT (0.49) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL25046978 0.76 MAPT (0.45) MAPTMEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 US disclosed
EP-3886984-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN Pfizer Inc. (US) 2021-10-06 EP disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 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 (6 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L MAPT 305/4885MEN1 3178/4885KMT2A 3842/4885

“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.