SCHEMBL21988641

SCHEMBL21988641

CC(O)c1cc(Br)ccc1-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
F2RL1 P55085 1/20 0.38
KCNH2 Q12809 7/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.35
TDO2 P48775 1/20 0.33
NOTUM Q6P988 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNN4 O15554 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
SCHEMBL25107900 0.82 F2RL1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL29541838 0.82 F2RL1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL15140231 0.82 F2RL1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21988700 0.82 KCNH2 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21988699 0.82 KCNH2 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21988917 0.80 F2RL1 (0.42) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL25806684 0.78 MAPT (0.40) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16102502 0.76 MEN1 (0.46) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21989072 0.76 MAPT (0.46) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL21988644 0.76 MAPT (0.46) MEN1ALDH1A1MAPTKMT2AKDM4E

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 15 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-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 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-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 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-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
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
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 MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L MEN1 3178/4885ALDH1A1 1737/4885MAPT 305/4885

“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.