SCHEMBL25666641

SCHEMBL25666641

Cc1ccc2c(c1)NC(=O)c1cc(Br)ccc1O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.49
CES1 P23141 1/20 0.49
AGTR1 P30556 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
MMP12 P39900 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
ROS1 P08922 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
LRRK2 Q5S007 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL25666654 0.94 MITF (0.46) TGM2CES1AGTR1ALDH1A1RAB9A
SCHEMBL25666652 0.90 MAPT (0.49) TGM2CES1AGTR1ALDH1A1RAB9A
SCHEMBL25666653 0.90 ALDH1A1 (0.57) TGM2CES1AGTR1ALDH1A1RAB9A
SCHEMBL13997687 0.89 ROS1 (0.51) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL25666656 0.87 ALDH1A1 (0.54) TGM2CES1AGTR1ALDH1A1RAB9A
SCHEMBL17988262 0.82 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL9270079 0.82 CSNK1G1 (0.56) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL21333117 0.82 ABL1 (0.50) ALDH1A1ABL1
SCHEMBL10171010 0.81 TGM2 (0.54) TGM2CES1AGTR1ALDH1A1RAB9A
SCHEMBL21332925 0.79 ABL1 (0.53) TGM2CES1MITFMAPTABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 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 (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-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK TGM2 2807/4885CES1 3674/4885AGTR1 1347/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK TGM2 2807/4885CES1 3674/4885AGTR1 1347/4885

“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.